SCHEMBL18550352

SCHEMBL18550352

c1ccc(Cc2ncc3c(n2)CCNC3)cc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.82
HTR2A P28223 3/20 0.82
CHRM4 P08173 1/20 0.82
CHRM5 P08912 1/20 0.82
CHRM1 P11229 1/20 0.82
CHRM3 P20309 1/20 0.82
HTR3A P46098 1/20 0.82
HTR6 P50406 1/20 0.82
HTR2B P41595 13/20 0.63

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
SCHEMBL1620274 0.90 HTR2C (1.00) HTR2CHTR2ACHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL1622319 0.89 HTR2C (0.97) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL18550078 0.80 HTR2C (0.62) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL1624015 0.78 HTR2C (1.00) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL1621843 0.78 HTR2C (1.00) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL1623428 0.76 HTR2C (1.00) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL1620487 0.76 HTR2C (1.00) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL1623007 0.76 HTR2C (1.00) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL1622904 0.75 HTR2C (1.00) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL1622167 0.75 HTR2C (1.00) HTR2CHTR2ACHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 CN disclosed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 US disclosed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 US disclosed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 EP disclosed
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 WO disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 US disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 US disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 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-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 HTR2C 835/4885HTR2A 455/4885CHRM4 1900/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 HTR2C 835/4885HTR2A 455/4885CHRM4 1900/4885

“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.