SCHEMBL12712697

SCHEMBL12712697

COCCN1CCC(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
HRH3 Q9Y5N1 5/20 0.36
SLC6A4 P31645 2/20 0.36
HSD11B1 P28845 1/20 0.34
HDAC2 Q92769 2/20 0.33
HDAC1 Q13547 1/20 0.33
MCHR1 Q99705 1/20 0.33
GBA1 P04062 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MMP1 P03956 2/20 0.30
MMP2 P08253 2/20 0.30
MMP13 P45452 2/20 0.30
MMP14 P50281 2/20 0.30
DRD2 P14416 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL12409043 0.89 HRH3 (0.38) CNR2HRH3SLC6A4HSD11B1HDAC2
SCHEMBL14116874 0.89 HRH3 (0.42) CNR2HRH3SLC6A4
SCHEMBL81690 0.88 HRH3 (0.41) CNR2HRH3SLC6A4HSD11B1GBA1
SCHEMBL20683622 0.83 GBA1 (0.35) HRH3SLC6A4HSD11B1GBA1
SCHEMBL24914244 0.81 HRH3 (0.35) HRH3SLC6A4MCHR1MMP1MMP14
SCHEMBL25669940 0.81 HSD11B1 (0.33) HSD11B1HDAC2HDAC1GBA1
SCHEMBL12872465 0.81 HRH3 (0.33) HRH3SLC6A4MCHR1HTR2AHTR2C
SCHEMBL23158170 0.80 HRH3 (0.33) HRH3SLC6A4
SCHEMBL22349071 0.79 ALDH1A1 (0.33) CNR2HRH3SLC6A4HSP90AB1DRD2
SCHEMBL81820 0.78 HSD11B1 (0.38) HRH3HSD11B1HDAC2HDAC1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 US disclosed
WO-2021127499-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO disclosed
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. 2017-09-07 US disclosed
US-9693989-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2017-07-04 US disclosed
US-8648087-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2014-02-11 US disclosed
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. (US) 2014-01-23 US disclosed
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 US disclosed
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 US disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 US disclosed
EP-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 EP disclosed
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 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 (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-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 CNR2 1127/4885HRH3 386/4885SLC6A4 3601/4885
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ERBB4, ERBB2, ERBB3 CNR2 1127/4885HRH3 386/4885SLC6A4 3601/4885
US-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS CNR2 3769/4885HRH3 921/4885SLC6A4 4808/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS CNR2 3081/4885HRH3 3839/4885SLC6A4 4615/4885
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 CNR2 1127/4885HRH3 386/4885SLC6A4 3601/4885
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R CNR2 301/4885HRH3 903/4885SLC6A4 107/4885

“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.