Sugi Predict

Sugi Predict / Compounds / SCHEMBL1622370

SCHEMBL1622370

SCHEMBL1622370

c1ccc(C2(c3nc4c(c(N5CCOCC5)n3)CCNCC4)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.60
▸ HTR2B P41595 3/20 0.60
▸ HTR2A P28223 4/20 0.45
▸ POLB P06746 3/20 0.39
▸ MTOR P42345 2/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CASP1 P29466 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1620449 0.91 HTR2C (0.48) HTR2CHTR2BHTR2AOPRM1ALDH1A1
SCHEMBL1621129 0.77 MTOR (0.48) MTORPIK3CA
SCHEMBL1622651 0.75 HTR2C (1.00) HTR2CHTR2BHTR2AHPGD
Hydrochloric Acid SCHEMBL1622492 0.74 HTR2C (0.98) HTR2CHTR2BHTR2AHPGD
SCHEMBL1622130 0.74 HTR2C (0.57) HTR2CHTR2BHTR2AOPRM1
SCHEMBL1622152 0.73 HTR2C (0.60) HTR2CHTR2BHTR2APOLBMTOR
SCHEMBL1622299 0.70 HTR2C (0.66) HTR2CHTR2BHTR2AMTORHSD17B10
SCHEMBL1622256 0.68 HTR2C (0.52) HTR2CHTR2BHTR2AOPRM1
SCHEMBL23493540 0.66 HTR2C (0.51) HTR2CHTR2BHTR2APOLBMTOR
SCHEMBL23973005 0.66 HTR2C (0.54) HTR2CHTR2BHTR2AKDM4EHSD17B10

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.