SCHEMBL20798019

SCHEMBL20798019

COc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
GHSR Q92847 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP2D6 P10635 2/20 0.40
GAA P10253 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDR P35968 1/20 0.39
USP2 O75604 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL20804834 0.83 DRD4 (0.56) CHRNB2CHRNA4TRPV6SIGMAR1DRD4
SCHEMBL14892774 0.76 DRD4 (0.59) MEN1KMT2ACYP2D6GAASIGMAR1
SCHEMBL20798113 0.74 CHRNB2 (0.56) CHRNB2CHRNA4OPRM1OPRL1MEN1
SCHEMBL30057551 0.74 CHRNB2 (0.56) CHRNB2CHRNA4OPRM1OPRL1MEN1
SCHEMBL27798357 0.72 SIGMAR1 (0.62) MEN1KMT2ACYP2D6GAASIGMAR1
SCHEMBL25342293 0.71 TRPV6 (0.43) TRPV6GHSRCYP2D6SIGMAR1KDR
SCHEMBL29457489 0.71 TRPV6 (0.43) TRPV6GHSRCYP2D6SIGMAR1KDR
SCHEMBL31458771 0.69 CYP2D6 (0.55) CHRNB2CHRNA4TRPV6GHSRMEN1
SCHEMBL20798157 0.69 CHRM4 (0.47) OPRM1MEN1KMT2APARP1PARP2
SCHEMBL1426883 0.68 KCNH2 (0.47) MEN1KMT2ACYP2D6KCNH2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152038-B2 Vasopressin receptor antagonists and products and methods related thereto Neumora Therapeutics, Inc. (US) 2024-11-26 US disclosed
EP-3679043-B9 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO NEUMORA THERAPEUTICS INC (US) 2023-09-27 EP disclosed
EP-3679043-B1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO NEUMORA THERAPEUTICS INC (US) 2023-05-31 EP disclosed
CN-111212842-B Vasopressin receptor antagonists and products and methods related thereto 布莱克索恩治疗公司 2022-10-25 CN disclosed
US-20210317126-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO BLACKTHORN THERAPEUTICS, INC. 2021-10-14 US disclosed
US-20210317126-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO BLACKTHORN THERAPEUTICS, INC. 2021-10-14 US disclosed
EP-3679043-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Blackthorn Therapeutics, Inc. (US) 2020-07-15 EP disclosed
US-20190169202-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-06-06 US disclosed
US-20190169202-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-06-06 US disclosed
WO-2019050988-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO BLACKTHORN THERAPEUTICS, INC. (US) 2019-03-14 WO disclosed
WO-2019050988-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO BLACKTHORN THERAPEUTICS, INC. (US) 2019-03-14 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 (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-12152038-B2 Vasopressin receptor antagonists and products and methods related thereto AVPR1A, AVPR2, AVPR1B CHRNB2 1338/4885CHRNA4 1119/4885OPRM1 110/4885
US-20210317126-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1A, AVPR2, AVPR1B CHRNB2 1338/4885CHRNA4 1119/4885OPRM1 110/4885
US-20190169202-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1A, AVPR2, AVPR1B CHRNB2 1338/4885CHRNA4 1119/4885OPRM1 110/4885

“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.