SCHEMBL11923284

SCHEMBL11923284

COc1ccc(CN(C(=O)c2cnc(N3CCC4CCCCC4C3)nc2-c2ccccc2F)C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ HTR2A P28223 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ SLC6A9 P48067 3/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ UBE2M P61081 2/20 0.36
▸ DCUN1D1 Q96GG9 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HCRTR2 O43614 1/20 0.35

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
SCHEMBL8266473 0.91 TACR1 (0.38) MAPTKMT2ASMN1; SMN2TSHROPRM1
SCHEMBL11923290 0.87 TACR1 (0.50) MAPTKMT2AHTR2ASMN1; SMN2TSHR
SCHEMBL8266011 0.86 MAPT (0.47) MAPTKMT2AHTR2ASMN1; SMN2TSHR
SCHEMBL11923274 0.86 MAPT (0.47) MAPTKMT2AHTR2ASMN1; SMN2TSHR
SCHEMBL11923170 0.84 CCNE1 (0.38) MAPTCCNE1CDK2LMNAHCRTR2
SCHEMBL11923242 0.83 CAMK1D (0.38) TSHRTACR1ALDH1A1
SCHEMBL8266820 0.82 HCRTR2 (0.36) OPRM1TACR1CCNE1CDK2HCRTR2
SCHEMBL11923272 0.81 WDR5 (0.39) KMT2ATACR1LMNATP53ALDH1A1
SCHEMBL11923227 0.81 HSD17B10 (0.43) KMT2ATACR1HCRTR2
SCHEMBL8266031 0.81 HCRTR2 (0.36) KMT2AOPRM1TACR1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 — — US disclosed
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 — — US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 — — US disclosed
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 — — US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 — — US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 — — US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — 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 (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-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B MAPT 1682/4885KMT2A 2786/4885HTR2A 911/4885

“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.

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