SCHEMBL12377262

SCHEMBL12377262

CC(C)NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ SIGMAR1 Q99720 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ HRH1 P35367 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ AGXT P21549 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13164692 0.91 ALDH1A1 (0.49) ALDH1A1LMNAHTTMAPK1NPSR1
SCHEMBL22899588 0.87 SIGMAR1 (0.65) SIGMAR1HRH1SMN1; SMN2MEN1KMT2A
SCHEMBL143708 0.87 SIGMAR1 (0.65) SIGMAR1HRH1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1331235 0.85 SIGMAR1 (0.63) ALDH1A1LMNAHTTMAPK1NPSR1
Bromide SCHEMBL1331742 0.85 SIGMAR1 (0.63) SIGMAR1HRH1SMN1; SMN2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL15917374 0.85 SIGMAR1 (0.63) SIGMAR1HRH1SMN1; SMN2MEN1KMT2A
SCHEMBL3271284 0.84 SIGMAR1 (0.48) ALDH1A1LMNAHTTMAPK1NPSR1
SCHEMBL13520305 0.83 LOXL2 (0.45) ALDH1A1LMNAHTTMAPK1NPSR1
Methyl Alcohol SCHEMBL29261100 0.83 SIGMAR1 (0.61) ALDH1A1LMNAHTTMAPK1NPSR1
SCHEMBL14438271 0.82 SIGMAR1 (0.52) ALDH1A1LMNAHTTMAPK1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 — — US disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 — — US disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 — — US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 — — US disclosed
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-09-02 — — US disclosed
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-09-02 — — US disclosed
US-7655808-B2 Leptomycin compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 — — US disclosed
US-20090042837-A1 LEPTOMYCIN COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 — — US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 — — US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 — — US disclosed
US-7446196-B2 Leptomycin compounds KOSAN BIOSCIENCES, INCORPORATED (US) 2008-11-04 — — US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 — — US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 — — US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 — — US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 — — US disclosed
WO-2007104162-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 — — WO disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 ALDH1A1 4333/4885LMNA 546/4885HTT 2206/4885
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ALDH1A1 1808/4885LMNA 4031/4885HTT 3689/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ALDH1A1 2989/4885LMNA 815/4885HTT 2474/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 ALDH1A1 2070/4885LMNA 3964/4885HTT 3749/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 ALDH1A1 1808/4885LMNA 4031/4885HTT 3689/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 ALDH1A1 3955/4885LMNA 643/4885HTT 1701/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ALDH1A1 1808/4885LMNA 4031/4885HTT 3689/4885
US-20090042837-A1 LEPTOMYCIN COMPOUNDS TPD52L2, MRPL12, LMNB1 ALDH1A1 4439/4885LMNA 81/4885HTT 3952/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 ALDH1A1 1301/4885LMNA 4728/4885HTT 4858/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX ALDH1A1 3619/4885LMNA 383/4885HTT 1413/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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