Sugi Predict

Sugi Predict / Compounds / SCHEMBL1622299

SCHEMBL1622299

SCHEMBL1622299

CN(Cc1ccccc1)c1nc2c(c(N3CCOCC3)n1)CCNCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.66
▸ HTR2B P41595 2/20 0.66
▸ HTR2A P28223 1/20 0.50
▸ NAPEPLD Q6IQ20 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ CETP P11597 1/20 0.39

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
SCHEMBL1628110 0.92 HTR2C (0.55) HTR2CHTR2BHTR2AADRB2CHRM3
SCHEMBL1622651 0.80 HTR2C (1.00) HTR2CHTR2BHTR2AHPGDCHRM3
SCHEMBL12719431 0.79 HTR2C (0.67) HTR2CHTR2BHTR2AADRB2CHRM3
Hydrochloric Acid SCHEMBL1622492 0.79 HTR2C (0.98) HTR2CHTR2BHTR2AHPGDCHRM3
SCHEMBL12719891 0.79 MTOR (0.48) HTR2CHTR2BNAPEPLDMTOR
SCHEMBL1621943 0.78 HTR2C (0.62) HTR2CHTR2BHTR2AADRB2CHRM3
SCHEMBL1622152 0.73 HTR2C (0.60) HTR2CHTR2BHTR2AALDH1A1NPSR1
SCHEMBL1622483 0.71 HTR2C (0.80) HTR2CHTR2BHTR2AADRB2CHRM3
Hydrochloric Acid SCHEMBL1622003 0.71 HTR2C (0.79) HTR2CHTR2BHTR2AADRB2CHRM3
SCHEMBL1622031 0.70 HTR2C (0.73) HTR2CHTR2BHTR2AADRB2CHRM3

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-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 — — US disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 — — WO 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 (1 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-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 4/4885HTR2A 2/4885

“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.