SCHEMBL2755874

SCHEMBL2755874

COC(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.78
TSHR P16473 5/20 0.78
CYP2D6 P10635 4/20 0.78
CYP2C19 P33261 4/20 0.78
CYP3A4 P08684 2/20 0.78
ALDH1A1 P00352 13/20 0.71
KDM4E B2RXH2 9/20 0.67
USP2 O75604 1/20 0.67
HPGD P15428 4/20 0.65
CYP2C9 P11712 3/20 0.65
CYP1A2 P05177 2/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.60

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
SCHEMBL9289622 0.85 KDM4E (0.64) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL1459701 0.84 GPR119 (0.79) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL30516861 0.84 GPR119 (0.79) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL4550239 0.83 ALDH1A1 (0.76) HSD17B10TSHRCYP3A4ALDH1A1KDM4E
SCHEMBL22092825 0.82 HSD17B10 (0.81) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL27580597 0.82 ALDH1A1 (0.82) HSD17B10TSHRCYP3A4ALDH1A1KDM4E
SCHEMBL14413281 0.82 KDM4E (0.70) HSD17B10TSHRALDH1A1KDM4EUSP2
SCHEMBL5235991 0.82 KDM4E (0.57) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL390463 0.81 GPR119 (0.57) HSD17B10TSHRCYP2D6CYP2C19CYP3A4
SCHEMBL1459007 0.81 ALDH1A1 (0.68) HSD17B10TSHRCYP3A4ALDH1A1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020123872-A1 1-(2,6-DIAZASPIRO[3.3]HEPTAN-6-YL)-5,6-DIHYDRO-4H-BENZO[F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS VASOPRESSIN ANTAGONISTS FOR THE TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS BLACKTHORN THERAPEUTICS, INC. (US) 2020-06-18 WO disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
EP-1704148-B1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON INC (US) 2011-03-02 EP disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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 (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-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 HSD17B10 218/4885TSHR 4037/4885CYP2D6 381/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 HSD17B10 218/4885TSHR 4037/4885CYP2D6 381/4885

“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.