SCHEMBL20854517

SCHEMBL20854517

NN1CCc2ccc(Cl)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ PNMT P11086 1/20 0.43
▸ AKR1C3 P42330 1/20 0.41
▸ NOTUM Q6P988 2/20 0.40
▸ ROCK1 Q13464 1/20 0.38
▸ SRD5A1 P18405 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HSD17B3 P37058 3/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ ACACB O00763 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ KDM1A O60341 1/20 0.36

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
SCHEMBL31020323 0.92 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTAKR1C3
SCHEMBL11434101 0.84 HTR2A (0.42) HTR2AHTR2CHTR2BPNMTHTR7
SCHEMBL29991420 0.78 MAOA (0.55) HTR2AHTR2CHTR2BNOTUMDRD2
SCHEMBL2625798 0.78 MAOA (0.55) HTR2AHTR2CHTR2BNOTUMDRD2
SCHEMBL12836477 0.77 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTAKR1C3
SCHEMBL13068138 0.77 KMT2A (0.41) HTR2AHTR2BAKR1C3NOTUMROCK1
SCHEMBL10534315 0.74 CETP (0.48) HTR2AHTR2CHTR2BPNMTAKR1C3
SCHEMBL3156676 0.74 ACACB (0.51) TMEM97SIGMAR1ACACB
SCHEMBL160943 0.74 HTR2A (0.55) HTR2AHTR2CHTR2BPNMTNOTUM
SCHEMBL6883015 0.73 MAOA (0.59) HTR2AHTR2CHTR2BDRD2

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
US-10730840-B2 Substituted tetrahydroisoquinoline ethylbenzamide anti-cancer agents FLORIDA A&M UNIVERSITY (US) 2020-08-04 — — US disclosed
US-20190100495-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE ETHYLBENZAMIDE ANTI-CANCER AGENTS FLORIDA A&M UNIVERSITY 2019-04-04 — — 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 (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-20190100495-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE ETHYLBENZAMIDE ANTI-CANCER AGENTS BRDT, ESR2, TEAD4 HTR2A 1740/4885HTR2C 1743/4885HTR2B 637/4885
US-10730840-B2 Substituted tetrahydroisoquinoline ethylbenzamide anti-cancer agents BRDT, ESR2, TEAD4 HTR2A 1740/4885HTR2C 1743/4885HTR2B 637/4885

“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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