SCHEMBL6312101

SCHEMBL6312101

c1ccc2nc3c(cc2c1)CCNCC3

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.47
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR3A P46098 2/20 0.44
HTR6 P50406 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL6307293 0.92 MEN1 (0.43) HTR2CMEN1NPC1RAB9AKMT2A
SCHEMBL222040 0.88 HTR2C (0.49) HTR2CMEN1NPC1RAB9AKMT2A
SCHEMBL2401358 0.88 CYP3A4 (0.55) HTR2CMEN1NPC1RAB9AKMT2A
SCHEMBL30751773 0.88 CYP3A4 (0.55) HTR2CMEN1NPC1RAB9AKMT2A
SCHEMBL28981243 0.83 ALDH1A1 (0.52) MEN1NPC1RAB9AKMT2AHTR3A
SCHEMBL3506845 0.79 NPC1 (0.49) MEN1NPC1RAB9AKMT2ACHRM1
SCHEMBL30645420 0.79 NPC1 (0.49) MEN1NPC1RAB9AKMT2ACHRM1
SCHEMBL452908 0.79 NPC1 (0.49) MEN1NPC1RAB9AKMT2ACHRM1
SCHEMBL6313436 0.78 HTR2C (0.48) HTR2CHTR3AHTR6CHRM4CHRM5
SCHEMBL11833898 0.78 CYP3A4 (0.46) HTR2CMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131660-B2 Tetrahydro-azepinoquinolines as agonists of the 5-HT2C receptor SUNNYLIFE PHARMA, INC. (US) 2018-11-20 US disclosed
US-20180215752-A1 TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR SUNNYLIFE PHARMA, INC. (US) 2018-08-02 US disclosed
US-20180215752-A1 TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR SUNNYLIFE PHARMA, INC. (US) 2018-08-02 US disclosed
US-20180215752-A1 TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR SUNNYLIFE PHARMA, INC. (US) 2018-08-02 US disclosed
WO-2016033228-A1 TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR SUNNYLIFE PHARMA, INC. (US) 2016-03-03 WO disclosed
WO-2016033228-A1 TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR SUNNYLIFE PHARMA, INC. (US) 2016-03-03 WO disclosed
US-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 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 (3 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 HTR2C 107/4885MEN1 292/4885NPC1 1013/4885
US-10131660-B2 Tetrahydro-azepinoquinolines as agonists of the 5-HT2C receptor HTR2C, HTR2A, HTR1A HTR2C 1/4885MEN1 3485/4885NPC1 3809/4885
US-20180215752-A1 TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR HTR2C, HTR2A, HTR1A HTR2C 1/4885MEN1 3485/4885NPC1 3809/4885

“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.