SCHEMBL5847534

SCHEMBL5847534

O=C1NCCCc2c1c1cccc3c1n2CCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
ALB P02768 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HTR2C P28335 4/20 0.43
HTR2A P28223 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 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
SCHEMBL9586206 0.96 CDK4 (0.47) HSD17B10HPGDUSP2ALDH1A1KDM4E
SCHEMBL7428957 0.95 HSD17B10 (0.50) HSD17B10HPGDUSP2ALDH1A1KDM4E
SCHEMBL7434089 0.93 BCHE (0.45) HSD17B10KDM4ECYP1A2LMNACDK4
SCHEMBL9585508 0.91 CDK4 (0.48) HSD17B10HPGDUSP2ALDH1A1KDM4E
SCHEMBL9587246 0.86 HSD17B10 (0.50) HSD17B10HPGDUSP2ALDH1A1KDM4E
SCHEMBL7424620 0.86 CDK4 (0.45) HSD17B10HPGDUSP2ALDH1A1KDM4E
SCHEMBL7326732 0.81 HSD17B10 (0.52) HSD17B10HPGDUSP2ALDH1A1KDM4E
SCHEMBL5421535 0.81 HSD17B10 (0.52) HSD17B10HPGDUSP2ALDH1A1KDM4E
SCHEMBL7435546 0.73 KMT2A (0.46) HSD17B10HPGDUSP2ALDH1A1KDM4E
SCHEMBL5420638 0.73 HTR2C (0.65) HSD17B10HPGDUSP2ALDH1A1KDM4E

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-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
US-5223625-A Antagonistic acitivity on 5-hydroxytryptamine receptors DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-06-29 US disclosed
EP-0377238-A1 New annelated indolo (3,2-c)-lactams DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-07-11 EP 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 (2 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 HSD17B10 1130/4885HPGD 2720/4885USP2 3658/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B HSD17B10 1738/4885HPGD 3652/4885USP2 2743/4885

“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.