SCHEMBL18550356

SCHEMBL18550356

Clc1ccc(CCc2ccc(-c3ncc4c(n3)CCNC4)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.53
HTR2B P41595 9/20 0.53
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
PNMT P11086 1/20 0.37
SOS1 Q07889 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MLNR O43193 1/20 0.36
ASIC3 Q9UHC3 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
SCHEMBL18549919 0.88 DHFR (0.50) HTR2CHTR2B
SCHEMBL18549785 0.86 HTR2C (0.50) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL18549787 0.86 HTR2C (0.50) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL28745314 0.84 HTR2C (0.48) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL3830137 0.82 HTR2C (0.51) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL12490852 0.79 HTR2C (0.78) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
Hydrochloric Acid SCHEMBL6298979 0.78 HTR2C (0.76) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL16836140 0.77 HTR2C (0.55) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL18550477 0.76 HTR2C (0.56) HTR2CHTR2ACHRM4CHRM5CHRM1
SCHEMBL18549940 0.76 HTR2C (0.47) HTR2CHTR2BPOLBSMN1; SMN2PNMT

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 5 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
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

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 835/4885HTR2B 805/4885POLB 4324/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 HTR2C 835/4885HTR2B 805/4885POLB 4324/4885

“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.