SCHEMBL1622960

SCHEMBL1622960

Clc1ccc(Cc2ncc3c(n2)CCN(Cc2ccccc2)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.59
HTR2B P41595 5/20 0.59
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
HTR2A P28223 1/20 0.55
HTR3A P46098 1/20 0.55
HTR6 P50406 1/20 0.55
SIGMAR1 Q99720 1/20 0.51
HSP90AB1 P08238 1/20 0.51
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 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
SCHEMBL1623382 0.88 HTR2C (0.65) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL1622745 0.80 SIGMAR1 (0.52) HTR2CHTR2BSIGMAR1MEN1KMT2A
SCHEMBL2568280 0.77 DHFR (0.53) SIGMAR1HSP90AB1LMNAMEN1NPC1
SCHEMBL1620487 0.75 HTR2C (1.00) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL18550169 0.74 HTR2C (0.52) HTR2CHTR2BCHRM4CHRM5CHRM1
SCHEMBL1623121 0.74 KMT2A (0.49) HTR2CHTR2BHTR2ASIGMAR1MEN1
SCHEMBL14990787 0.73 MAPT (0.72) LMNATP53MAPTALDH1A1
SCHEMBL20589389 0.72 C5AR1 (0.52) HSP90AB1LMNAMEN1NPC1RAB9A
SCHEMBL19475611 0.72 MEN1 (0.60) HSP90AB1LMNAMEN1NPC1RAB9A
SCHEMBL29448370 0.72 MEN1 (0.60) HSP90AB1LMNAMEN1NPC1RAB9A

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 6 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

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 4/4885CHRM4 272/4885

“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.