SCHEMBL20804834

SCHEMBL20804834

COc1ccc(N2CCN(Cc3ccccc3)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.56
SIGMAR1 Q99720 3/20 0.52
TRPV6 Q9H1D0 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
NTSR1 P30989 1/20 0.50
HTT P42858 1/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR1A P08908 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL20798019 0.83 CHRNB2 (0.42) DRD4SIGMAR1TRPV6CHRNB2CHRNA4
SCHEMBL20847693 0.82 DRD4 (0.61) DRD4SIGMAR1KDM4EALDH1A1LMNA
SCHEMBL6888786 0.81 CHRNB2 (0.57) CHRNB2CHRNA4KDM4EMAPTGFER
SCHEMBL11923385 0.79 SIGMAR1 (0.79) DRD4SIGMAR1MAPK1ALDH1A1LMNA
SCHEMBL22388848 0.78 DRD4 (0.56) DRD4SIGMAR1LMNANPC1RAB9A
SCHEMBL4160649 0.77 TRPV6 (0.60) SIGMAR1TRPV6
Hydrochloric Acid SCHEMBL11213408 0.77 SIGMAR1 (0.77) DRD4SIGMAR1MAPK1ALDH1A1LMNA
Bromide SCHEMBL4169169 0.76 TRPV6 (0.58) SIGMAR1TRPV6
SCHEMBL6884588 0.76 CHRNB2 (0.61) CHRNB2CHRNA4KDM4EALDH1A1HTR3A
SCHEMBL6660468 0.76 CASP1 (0.62) DRD4SIGMAR1MAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20190169202-A1 VASOPRESSIN RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO AVPR1A, AVPR2, AVPR1B DRD4 406/4885SIGMAR1 238/4885TRPV6 200/4885

“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.