Sugi Predict

Sugi Predict / Compounds / SCHEMBL1622152

SCHEMBL1622152

SCHEMBL1622152

CC(C)(c1ccccc1)c1nc2c(c(N3CCOCC3)n1)CCNCC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.60
▸ HTR2B P41595 3/20 0.60
▸ HTR2A P28223 4/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ MTOR P42345 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1622629 0.91 HTR2C (0.48) HTR2CHTR2BHTR2AADRB2HTR1B
SCHEMBL1623450 0.79 MTOR (0.49) MTORRAF1BRAF
SCHEMBL1622651 0.75 HTR2C (1.00) HTR2CHTR2BHTR2AHPGD
SCHEMBL1622413 0.75 HTR2C (0.76) HTR2CHTR2BHTR2AADRB2HTR1B
SCHEMBL1622479 0.75 HTR2C (0.57) HTR2CHTR2BHTR2AADRB2HTR1B
Hydrochloric Acid SCHEMBL1622492 0.74 HTR2C (0.98) HTR2CHTR2BHTR2AHPGD
SCHEMBL1622370 0.73 HTR2C (0.60) HTR2CHTR2BHTR2AMTORPOLB
SCHEMBL1622299 0.73 HTR2C (0.66) HTR2CHTR2BHTR2AADRB2MTOR
SCHEMBL1622474 0.69 HTR2C (0.53) HTR2CHTR2BHTR2AADRB2HTR1B
SCHEMBL1621595 0.68 CKS1B (0.43) MTORRAF1BRAFKDM4EMAPT

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.