SCHEMBL615034

SCHEMBL615034

N#CC1(c2ccccc2F)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2A P28223 2/20 0.35
DRD2 P14416 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BDKRB1 P46663 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL30338086 1.00 OPRM1 (0.37) OPRM1NPC1ALDH1A1LMNATP53
Bromide SCHEMBL2270524 0.98 OPRM1 (0.36) OPRM1NPC1ALDH1A1LMNATP53
SCHEMBL26240501 0.88 HDAC4 (0.38) OPRM1NPC1ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL25389655 0.87 HDAC4 (0.37) OPRM1NPC1ALDH1A1LMNATP53
SCHEMBL1769351 0.87 HDAC4 (0.41) OPRM1NPC1ALDH1A1LMNATP53
SCHEMBL30929543 0.87 HDAC4 (0.41) OPRM1NPC1ALDH1A1LMNATP53
SCHEMBL25280986 0.84 HTR2C (0.40) OPRM1NPC1ALDH1A1LMNATP53
SCHEMBL1020368 0.83 NPC1 (0.48) OPRM1NPC1ALDH1A1LMNATP53
SCHEMBL625354 0.83 NPC1 (0.44) OPRM1NPC1ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL25274762 0.82 HTR2C (0.39) OPRM1NPC1ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239158-A Method for preparing a spiroindoline and a precursor thereof GLAXO GROUP LTD 2011-11-09 CN claimed
EP-2370423-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF Glaxo Group Limited (GB) 2011-10-05 EP claimed
US-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF Method for Preparing a Spiroindoline 2011-09-22 US claimed
WO-2010065704-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO claimed
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-04 US disclosed
US-11795177-B2 Substituted quinoline analogs as aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-24 US disclosed
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US disclosed
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
WO-2012158475-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 WO disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 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 (8 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-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 OPRM1 145/4885NPC1 620/4885ALDH1A1 1311/4885
US-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 OPRM1 3770/4885NPC1 621/4885ALDH1A1 92/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR OPRM1 34/4885NPC1 1573/4885ALDH1A1 1370/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR OPRM1 34/4885NPC1 1573/4885ALDH1A1 1370/4885
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof CUL4B, CUL4A, UBQLN1 OPRM1 2105/4885NPC1 1120/4885ALDH1A1 825/4885
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF CUL4B, CUL4A, UBQLN1 OPRM1 2105/4885NPC1 1120/4885ALDH1A1 825/4885
US-11795177-B2 Substituted quinoline analogs as aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors ALDH1A1, ALDH1A2, ALDH1B1 OPRM1 3307/4885NPC1 306/4885ALDH1A1 1/4885
US-20110230660-A1 METHOD FOR PREPARING A SPIROINDOLINE AND A PRECURSOR THEREOF CCR2, CXCR4, CXCR2 OPRM1 57/4885NPC1 453/4885ALDH1A1 767/4885

“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.