SCHEMBL4064416

SCHEMBL4064416

Cc1ccc(N2CC[CH]CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.59
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
AKR1C3 P42330 1/20 0.46
MAPT P10636 7/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MCL1 Q07820 1/20 0.42
DHFR P00374 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
USP2 O75604 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL4071866 0.86 ADRB1 (0.50) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL10063748 0.85 ADRB1 (0.70) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL3414344 0.85 ADRB1 (0.70) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL7105773 0.85 ADRB1 (0.70) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL18118476 0.80 ADRB1 (0.64) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL327765 0.80 ADRB1 (0.64) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL28567064 0.78 ADRB1 (0.61) ADRB1MEN1KMT2AMAPTNPSR1
SCHEMBL82441 0.78 ADRB1 (0.61) ADRB1MEN1KMT2AMAPTNPSR1
Hydrochloric Acid SCHEMBL16446845 0.78 ADRB1 (0.61) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL81881 0.78 ADRB1 (0.61) ADRB1MEN1KMT2AMAPTNPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
CN-1777612-A New piperidinylamino-thieno[2,3-d] pyrimidine compounds PREDIX PHARMACEUTICALS HOLDING (US) 2006-05-24 CN 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 (2 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 ADRB1 976/4885MEN1 1364/4885KMT2A 165/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ADRB1 976/4885MEN1 1364/4885KMT2A 165/4885

“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.