SCHEMBL15701642

SCHEMBL15701642

CCn1ccc2cc(C(C)C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
HTR2C P28335 7/20 0.45
HTR2A P28223 6/20 0.45
HTR7 P34969 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
HTR6 P50406 1/20 0.39

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
SCHEMBL23612448 0.81 ACACB (0.46) CYP19A1HTR2CHTR2AHTR7MTNR1A
SCHEMBL10187824 0.80 MAOB (0.49) CYP19A1HTR2CHTR2AHTR7
SCHEMBL20801762 0.79 HTR2C (0.58) HTR2CHTR2AHTR7HTR6
SCHEMBL23844439 0.79 APP (0.50) CYP19A1HTR6
SCHEMBL5517363 0.79 KMT2A (0.55) HTR2CHTR2A
SCHEMBL23612472 0.77 KMO (0.52) HTR7TP53MTNR1AMTNR1B
SCHEMBL11946776 0.77 HTR7 (0.37) CYP19A1HTR2CHTR2AHTR7HTR6
SCHEMBL4399974 0.76 PRKCI (0.55) CYP19A1HTR2CHTR7TUBB4ATUBB
SCHEMBL11084225 0.76 HTR2A (0.62) CYP19A1HTR2CHTR2ATUBB4ATUBB
SCHEMBL2736367 0.75 SLC2A1 (0.47) HTR2CHTR2AHTR6TP53

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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2022-06-14 US disclosed
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-10 US disclosed
EP-3093289-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR Amgen, Inc (US) 2016-11-16 EP disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CYP19A1 1528/4885HTR2C 2597/4885HTR2A 2333/4885
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CYP19A1 1528/4885HTR2C 2597/4885HTR2A 2333/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS CYP19A1 2324/4885HTR2C 4389/4885HTR2A 3980/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 CYP19A1 3970/4885HTR2C 4284/4885HTR2A 3721/4885

“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.