SCHEMBL3064865

SCHEMBL3064865

Cc1ccccc1CCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.61
HTR7 P34969 2/20 0.47
HTR2A P28223 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
HTR6 P50406 2/20 0.42
AOC3 Q16853 2/20 0.42

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
Hydrochloric Acid SCHEMBL28135517 0.98 TAAR1 (0.59) TAAR1HTR7HTR2AHTR1AHTR2C
Hydrochloric Acid SCHEMBL11622036 0.82 SIGMAR1 (0.56) TAAR1
Water SCHEMBL11573474 0.82 SIGMAR1 (0.56) TAAR1
Hydrochloric Acid SCHEMBL11620066 0.82 SIGMAR1 (0.56) TAAR1
Water SCHEMBL11572091 0.82 SIGMAR1 (0.56) TAAR1
Hydrochloric Acid SCHEMBL11617555 0.82 SIGMAR1 (0.56) TAAR1
Hydrochloric Acid SCHEMBL11622896 0.82 SIGMAR1 (0.56) TAAR1
Water SCHEMBL11571425 0.82 SIGMAR1 (0.56) TAAR1
Water SCHEMBL11570694 0.82 SIGMAR1 (0.56) TAAR1
Hydrochloric Acid SCHEMBL11618538 0.82 SIGMAR1 (0.56) TAAR1

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
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 EP disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 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 (4 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-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 TAAR1 222/4885HTR7 74/4885HTR2A 60/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885HTR7 4716/4885HTR2A 4718/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 TAAR1 4836/4885HTR7 945/4885HTR2A 369/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TAAR1 2181/4885HTR7 3479/4885HTR2A 3808/4885

“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.