SCHEMBL11974009

SCHEMBL11974009

CCC(C)(C)Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
PNMT P11086 2/20 0.48
TAAR1 Q96RJ0 3/20 0.46
CYP3A4 P08684 2/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
AOC3 Q16853 1/20 0.43
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
CTBP2 P56545 1/20 0.41
CHRM2 P08172 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL22877743 0.87 PNMT (0.47) RIPK1PNMTTAAR1CYP3A4IDO1
SCHEMBL5925967 0.83 PNMT (0.47) RIPK1PNMTTAAR1CYP3A4IDO1
SCHEMBL27962079 0.83 PNMT (0.57) RIPK1PNMTTAAR1CYP3A4IDO1
SCHEMBL73643 0.82 PNMT (0.54) RIPK1PNMTTAAR1CYP3A4IDO1
Ammonia Solution, Strong SCHEMBL27962080 0.80 PNMT (0.52) RIPK1PNMTTAAR1CYP3A4IDO1
SCHEMBL20428032 0.79 SLC6A2 (0.39) RIPK1CYP3A4IDO1TSHR
SCHEMBL11667803 0.79 RIPK1 (0.48) RIPK1PNMTTAAR1CYP3A4IDO1
SCHEMBL23682536 0.78 MAOB (0.48) TAAR1CYP3A4SIGMAR1TSHRRECQL
SCHEMBL5222434 0.78 SLC6A2 (0.59) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL8324906 0.78 MAOB (0.52) RIPK1PNMTTAAR1CYP3A4IDO1

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-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-10730862-B2 Compounds and methods for the enhanced degradation of targeted proteins and other polypeptides by an E3 ubiquitin ligase YALE UNIVERSITY (US) 2020-08-04 US disclosed
US-10633342-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-28 US disclosed
US-20190135758-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 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 (6 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-20190135758-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT RIPK1 967/4885PNMT 43/4885TAAR1 2161/4885
US-10730862-B2 Compounds and methods for the enhanced degradation of targeted proteins and other polypeptides by an E3 ubiquitin ligase VHL, MDM2, NEDD4 RIPK1 909/4885PNMT 3332/4885TAAR1 4594/4885
US-10633342-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT RIPK1 967/4885PNMT 43/4885TAAR1 2161/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 RIPK1 2500/4885PNMT 702/4885TAAR1 154/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 RIPK1 1634/4885PNMT 278/4885TAAR1 3649/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 RIPK1 1353/4885PNMT 845/4885TAAR1 1688/4885

“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.