SCHEMBL283762

SCHEMBL283762

COc1cc(N(Cc2ccccc2)C(=O)O)ccc1C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.50
▸ HTR1A P08908 3/20 0.45
▸ SLC6A2 P23975 3/20 0.45
▸ SLC6A4 P31645 3/20 0.45
▸ SLC6A3 Q01959 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RNF4 P78317 1/20 0.41
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ BRPF1 P55201 1/20 0.40
▸ 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
SCHEMBL282691 0.86 CHRM1 (0.48) MEN1KMT2ANPC1RAB9ACHRM2
SCHEMBL6709455 0.71 HTR2C (0.59) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Chloroacetic Acid SCHEMBL27454793 0.71 HTR2C (0.73) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2707057 0.71 HTR2C (0.63) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11445489 0.71 HTR2C (0.55) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL31701871 0.70 HTR2C (0.51) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL16292956 0.70 HTR2C (0.51) HTR2CSLC6A2SLC6A4SLC6A3NPC1
SCHEMBL330081 0.69 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29891667 0.69 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14174295 0.69 TSPO (0.59) MEN1KMT2ANPC1RAB9ARNF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 — — EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — 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 (1 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HTR2C 4010/4885HTR1A 3884/4885SLC6A2 4812/4885

“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.

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