SCHEMBL18329558

SCHEMBL18329558

Cc1cccc2c1N(C(C)C)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.40
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
CES1 P23141 2/20 0.38
ALDH1A1 P00352 4/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13180800 0.89 ALOX12 (0.46) ALOX12L3MBTL1CNR2HTR2CHTR2B
SCHEMBL22872584 0.84 ALOX12 (0.50) ALOX12L3MBTL1CNR2HTR2CHTR2B
SCHEMBL16234640 0.82 ALOX12 (0.51) ALOX12L3MBTL1CNR2HTR2CHTR2B
SCHEMBL26605383 0.81 CES1 (0.41) ALOX12HTR2CHTR2BCES1ALDH1A1
SCHEMBL18329547 0.81 NOTUM (0.46) ALOX12HTR2CHTR2BCES1ALDH1A1
SCHEMBL24316036 0.81 ALOX12 (0.40) ALOX12L3MBTL1HTR2CHTR2BCES1
SCHEMBL20345683 0.81 ALOX12 (0.40) ALOX12HTR2CHTR2BCES1ALDH1A1
SCHEMBL27010788 0.81 ALOX12 (0.40) ALOX12HTR2CHTR2BSLC6A2CES1
SCHEMBL19603155 0.79 CRHBP (0.43) ALOX12HTR2CCES1ALDH1A1HPGD
SCHEMBL24316035 0.79 HTR2C (0.44) ALOX12HTR2CHTR2BALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
EP-3498708-B1 DEUTERATED 3-(4,5-SUBSTITUTED PYRIMIDINAMINE) PHENYL DERIVATIVES AND APPLICATIONS THEREOF NANJING CHUANGTE PHARMACEUTICAL TECH CO LTD (CN) 2021-01-13 EP disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
WO-2016204153-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE 宇部興産株式会社 2016-12-22 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 (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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 ALOX12 1453/4885L3MBTL1 3664/4885CNR2 480/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALOX12 3663/4885L3MBTL1 3997/4885CNR2 874/4885

“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.