SCHEMBL16690580

SCHEMBL16690580

N#Cc1cccc2c1CC[C@H]2NCl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.42
▸ S1PR1 P21453 2/20 0.41
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ CCR2 P41597 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAOB P27338 5/20 0.34
▸ MAOA P21397 2/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17199240 1.00 DRD2 (0.42) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL12508446 0.83 PDPK1 (0.50) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL22073767 0.83 PDPK1 (0.50) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL17914139 0.83 DRD2 (0.42) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL25843271 0.83 DRD2 (0.42) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL12509155 0.83 PDPK1 (0.50) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL17914140 0.83 DRD2 (0.42) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL22814083 0.83 DRD2 (0.42) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL25843217 0.83 DRD2 (0.42) DRD2S1PR1DRD1DRD4DRD5
SCHEMBL10210350 0.81 OPRL1 (0.35) S1PR1MAOBMAOAOPRL1

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
US-20170165236-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH RECEPTOS LLC 2017-06-15 — — US disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 — — US disclosed
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 — — US disclosed
US-20150299149-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 — — US disclosed
WO-2015066515-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH RECEPTOS, INC. (US) 2015-05-07 — — WO 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 (3 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-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 DRD2 2627/4885S1PR1 1/4885DRD1 3148/4885
US-20150299149-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 DRD2 2353/4885S1PR1 1/4885DRD1 2851/4885
US-20170165236-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH S1PR1, S1PR2, S1PR4 DRD2 2008/4885S1PR1 1/4885DRD1 2618/4885

“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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