SCHEMBL10153406

SCHEMBL10153406

c1ccc(C2C3CCCC2CNC3)cc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC4 P56524 2/20 0.40
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL11393899 0.73 SSTR4 (0.44) BPTFSLC18A3SIGMAR1KDM1AMAOA
SCHEMBL744545 0.73 BPTF (0.43) BPTFSLC18A3SIGMAR1KDM1AMAOA
SCHEMBL6925312 0.73 BPTF (0.43) BPTFSLC18A3SIGMAR1KDM1AMAOA
SCHEMBL7076302 0.73 CYP11B2 (0.44) BPTFSLC18A3SIGMAR1KDM1AMAOA
SCHEMBL233570 0.72 SLC18A3 (0.58) BPTFSLC18A3SIGMAR1KDM1AMAOA
Phenol SCHEMBL27468225 0.71 CA12 (0.46) BPTFCHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL557175 0.70 SLC18A3 (0.56) BPTFSLC18A3SIGMAR1KDM1AMAOA
SCHEMBL14704853 0.70 SLC18A3 (0.50) BPTFSLC18A3SIGMAR1KDM1AMAOA
SCHEMBL16608333 0.70 SLC18A3 (0.50) BPTFSLC18A3SIGMAR1KDM1AMAOA
SCHEMBL16608244 0.70 SLC18A3 (0.50) BPTFSLC18A3SIGMAR1KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 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 (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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 BPTF 2999/4885SLC18A3 513/4885SIGMAR1 657/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL BPTF 2580/4885SLC18A3 555/4885SIGMAR1 640/4885

“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.