SCHEMBL1984870

SCHEMBL1984870

CON(C)C(=O)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.56
▸ BCHE P06276 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ DRD3 P35462 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ THRA P10827 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ GBA1 P04062 1/20 0.49

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
SCHEMBL13221522 0.86 TSHR (0.55) THRAPOLBTP53THRB
SCHEMBL8477806 0.83 MCHR1 (0.57) DRD2BCHEACHEMAPTKDM4E
SCHEMBL6539277 0.83 TP53 (0.60) THRATP53THRB
SCHEMBL6057420 0.82 ESR1 (0.59) DRD2BCHEACHEMAPTALDH1A1
SCHEMBL15537810 0.81 THRA (0.59) BCHEACHEDRD3CYP2D6THRA
SCHEMBL2953908 0.81 MAPT (0.74) DRD2BCHEACHEMAPTALDH1A1
SCHEMBL631252 0.80 L3MBTL1 (0.70) DRD2BCHEACHEMAPTALDH1A1
SCHEMBL1981044 0.80 PKM (0.62) DRD2BCHEACHEMAPTALDH1A1
SCHEMBL15069756 0.80 KDM4E (0.47) BCHEACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL12315759 0.79 ALDH1A1 (0.56) DRD2BCHEACHEALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263661-B2 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-09-11 — — US disclosed
US-20110152226-A1 Development of New Selective Estrogen Receptor Modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-23 — — US disclosed
EP-1680101-A4 DEVELOPMENT OF NEW SELECTIVE ESTROGEN RECEPTOR MODULATORS UNIV CALIFORNIA OFFICE OF THE (US) 2009-04-08 — — EP disclosed
US-20080214609-A1 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-04 — — US disclosed
US-7196119-B2 Development of new selective estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-27 — — US disclosed
EP-1680101-A1 DEVELOPMENT OF NEW SELECTIVE ESTROGEN RECEPTOR MODULATORS The Regents of the University of California, Office of the President (US) 2006-07-19 — — EP disclosed
US-20050113453-A1 Development of new selective estrogen receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-26 — — US disclosed
WO-2005041946-A1 DEVELOPMENT OF NEW SELECTIVE ESTROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-12 — — 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-20080214609-A1 Development of new selective estrogen receptor modulators ESR2, ESR1, GPER1 DRD2 2796/4885BCHE 2271/4885ACHE 3473/4885
US-20050113453-A1 Development of new selective estrogen receptor modulators ESR2, ESR1, GPER1 DRD2 2796/4885BCHE 2271/4885ACHE 3473/4885
US-20110152226-A1 Development of New Selective Estrogen Receptor Modulators ESR2, ESR1, GPER1 DRD2 2796/4885BCHE 2271/4885ACHE 3473/4885

“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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