SCHEMBL18983602

SCHEMBL18983602

O=C1CCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.59
MAOA P21397 6/20 0.59
MAOB P27338 6/20 0.59
CYP2D6 P10635 3/20 0.52
HRH1 P35367 1/20 0.52
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL11449734 0.94 HRH3 (0.59) HRH3MAOAMAOBCYP2D6HRH1
SCHEMBL6420814 0.92 MAOA (0.65) HRH3MAOAMAOBCYP2D6RXRA
SCHEMBL29308752 0.89 MAOA (0.58) HRH3MAOAMAOBCA2CA5A
SCHEMBL17026485 0.86 MAOA (0.61) HRH3MAOAMAOBCYP2D6RXRA
SCHEMBL5040852 0.81 MAOB (0.57) HRH3MAOAMAOBCYP2D6HRH1
SCHEMBL3759785 0.80 MAOB (0.74) HRH3MAOAMAOBNPC1RAB9A
SCHEMBL30299191 0.80 HRH3 (0.72) HRH3MAOAMAOBCYP2D6HRH1
SCHEMBL12472442 0.80 HRH3 (0.72) HRH3MAOAMAOBCYP2D6HRH1
SCHEMBL630236 0.79 HRH3 (0.59) HRH3MAOAMAOBCYP2D6HRH1
SCHEMBL18983653 0.79 S1PR5 (0.44) MAOAMAOBNPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569588-A Preparation method and intermediate of ilast hydrochloride 杭州诺澳生物医药科技有限公司 2025-03-07 CN disclosed
US-10280159-B2 Fused (hetero)cyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-07 US disclosed
US-10280159-B2 Fused (hetero)cyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-07 US disclosed
EP-3394050-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2018-10-31 EP disclosed
WO-2017109095-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-29 WO disclosed
WO-2017109095-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-29 WO disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 US disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 US disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 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-10280159-B2 Fused (hetero)cyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 HRH3 220/4885MAOA 4412/4885MAOB 4179/4885
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 HRH3 220/4885MAOA 4412/4885MAOB 4179/4885

“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.