SCHEMBL1870787

SCHEMBL1870787

[CH]1CCCN(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
CHRNA7 P36544 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 0.41
CHRNB2 P17787 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 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
SCHEMBL150538 0.86 SIGMAR1 (0.46) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL4069242 0.79 HTR3E (0.47) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL4070572 0.79 ADRB1 (0.47) LMNAADRB1L3MBTL1ALOX15HSD17B10
SCHEMBL4067417 0.79 MAPT (0.49) LMNAALOX15MAPK1ALDH1A1TSHR
SCHEMBL4066583 0.79 CHKA (0.63) HSD17B10CYP3A4MAPK1ALDH1A1TSHR
SCHEMBL4071700 0.77 CHRNB2 (0.58) CHRNA7CHRNB2CHRNA3CHRNA4
SCHEMBL4068350 0.77 ADRB1 (0.53) ADRB1L3MBTL1HSD17B10ALDH1A1MAPT
SCHEMBL4071905 0.77 BPTF (0.48) HSD17B10ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL4070180 0.77 HTR3E (0.53) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL2046994 0.77 LMNA (0.50) LMNASIGMAR1HTR3EHTR3BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN claimed
CN-103140484-A Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH 2013-06-05 CN disclosed
EP-2493852-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
WO-2011053706-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 LMNA 2914/4885SIGMAR1 53/4885HTR3E 261/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 LMNA 1416/4885SIGMAR1 4322/4885HTR3E 2475/4885

“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.