SCHEMBL18549787

SCHEMBL18549787

Clc1ccc(C=Cc2ccc(-c3ncc4c(n3)CCNC4)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.50
HTR2B P41595 5/20 0.43
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PNMT P11086 1/20 0.36
SOS1 Q07889 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 1/20 0.34

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
SCHEMBL18549785 1.00 HTR2C (0.50) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL18550356 0.86 HTR2C (0.53) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL28745314 0.83 HTR2C (0.48) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL18549919 0.80 DHFR (0.50) HTR2CHTR2BALDH1A1HSD17B10KDM4E
SCHEMBL12490852 0.78 HTR2C (0.78) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
Hydrochloric Acid SCHEMBL6298979 0.77 HTR2C (0.76) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL16836140 0.76 HTR2C (0.55) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL3830137 0.76 HTR2C (0.51) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL1017330 0.74 HTR2C (0.52) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL18587204 0.73 HSP90AB1 (0.48) MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.