SCHEMBL5413474

SCHEMBL5413474

c1cc2c3c(c1)c1c(n3CCCC2)CCNC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.65
HSD17B10 Q99714 3/20 0.65
KDM4E B2RXH2 2/20 0.65
CYP1A2 P05177 2/20 0.65
MEN1 O00255 1/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
MAPT P10636 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALOX15 P16050 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HTR2A P28223 6/20 0.64
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44

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
Hydrochloric Acid SCHEMBL5408673 0.99 HTR2C (0.64) HTR2CHSD17B10KDM4ECYP1A2MEN1
SCHEMBL5405488 0.96 HTR2C (0.63) HTR2CHSD17B10KDM4ECYP1A2MEN1
SCHEMBL5428200 0.90 HTR2C (0.62) HTR2CHSD17B10KDM4ECYP1A2MEN1
SCHEMBL5420638 0.89 HTR2C (0.65) HTR2CHSD17B10KDM4ECYP1A2MEN1
Hydrochloric Acid SCHEMBL5424435 0.89 HTR2C (0.60) HTR2CHSD17B10KDM4ECYP1A2MEN1
SCHEMBL5413796 0.86 HTR2C (0.60) HTR2CHSD17B10KDM4ECYP1A2MEN1
SCHEMBL11436033 0.85 HTR2C (0.57) HTR2CHSD17B10KDM4ECYP1A2MEN1
Hydrochloric Acid SCHEMBL6495715 0.84 HTR2C (0.59) HTR2CHSD17B10KDM4ECYP1A2MEN1
Hydrochloric Acid SCHEMBL11430678 0.84 HTR2C (0.56) HTR2CHSD17B10KDM4ECYP1A2MEN1
SCHEMBL11431051 0.83 HTR2C (0.55) HTR2CHSD17B10KDM4ECYP1A2MEN1

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-7238690-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-08-10 US disclosed
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 US disclosed
EP-1189905-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-29 EP disclosed
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation ROBICHAUD ALBERT J (US) 2004-07-01 US disclosed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 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-20040209864-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2C 2/4885HSD17B10 1130/4885KDM4E 987/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B HTR2C 6/4885HSD17B10 1622/4885KDM4E 573/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B HTR2C 1/4885HSD17B10 1738/4885KDM4E 919/4885

“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.