SCHEMBL17801931

SCHEMBL17801931

COc1cccc2c1CCCNC2

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
CD44 P16070 1/20 0.45
DRD4 P21917 2/20 0.44

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
SCHEMBL31233660 0.90 PNMT (0.56) PNMTDRD2DRD3HTR2CHTR2B
SCHEMBL2358135 0.90 PNMT (0.56) PNMTDRD2DRD3HTR2CHTR2B
Hydrochloric Acid SCHEMBL1124611 0.88 PNMT (0.55) PNMTDRD2DRD3HTR2CHTR2B
Hydrochloric Acid SCHEMBL33527957 0.88 PNMT (0.55) PNMTDRD2DRD3HTR2CHTR2B
SCHEMBL383534 0.80 PNMT (0.49) PNMTDRD2DRD3DRD4
SCHEMBL915092 0.79 PNMT (0.69) PNMTDRD2DRD3HTR2CHTR2B
Hydrochloric Acid SCHEMBL13739112 0.79 PNMT (0.47) PNMTDRD2DRD3DRD4
SCHEMBL2231378 0.78 DRD2 (0.54) DRD2DRD3DRD4
SCHEMBL506893 0.78 DRD2 (0.54) DRD2DRD3DRD4
SCHEMBL29354471 0.78 DRD2 (0.54) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409658-B9 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-07-17 EP disclosed
EP-3409658-B1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-03-06 EP disclosed
CN-107001279-B CXCR7 receptor modulators 爱杜西亚药品有限公司 2020-10-20 CN disclosed
US-10730830-B2 Tetrahydronaphthalene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2020-08-04 US disclosed
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2019-01-31 US disclosed
EP-3409658-A1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2018-12-05 EP disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
EP-3227263-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd (CH) 2017-10-11 EP disclosed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 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 (4 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-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 PNMT 4754/4885DRD2 454/4885DRD3 424/4885
US-10730830-B2 Tetrahydronaphthalene derivative S1PR5, S1PR1, GPR55 PNMT 408/4885DRD2 346/4885DRD3 640/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 PNMT 4728/4885DRD2 684/4885DRD3 665/4885
US-20190031605-A1 TETRAHYDRONAPHTHALENE DERIVATIVE S1PR5, S1PR1, GPR55 PNMT 409/4885DRD2 262/4885DRD3 479/4885

“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.