SCHEMBL1944441

SCHEMBL1944441

CC[C@@H]1C[C@@H]2CC(=O)n3c4c(c5ccccc53)CCN(C1)[C@@H]42

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ NR1I2 O75469 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PDE1A P54750 9/20 0.42
▸ PDE1B Q01064 2/20 0.42
▸ PDE1C Q14123 2/20 0.42
▸ SLC6A4 P31645 3/20 0.41
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRA2A P08913 1/20 0.36

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
SCHEMBL11982876 0.78 CYP3A4 (0.49) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL9318482 0.78 CYP3A4 (0.49) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL11982878 0.78 CYP3A4 (0.49) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL10491378 0.74 CYP3A4 (0.48) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL10834796 0.73 CYP3A4 (0.45) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL10491403 0.72 CYP3A4 (0.47) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL9528324 0.72 CYP3A4 (0.47) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL9532750 0.72 CYP3A4 (0.46) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL10491433 0.72 CYP3A4 (0.46) CYP3A4LMNACYP2D6NR1I2CYP1A2
SCHEMBL10491410 0.70 CYP3A4 (0.43) CYP3A4LMNACYP2D6NR1I2CYP1A2

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-20110130424-A1 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-02 — — US disclosed
CN-101360742-A Substituted phenylpiperidines with serotonin-derived activity and enhanced therapeutic properties AUSPEX PHARMACEUTICALS INC (US) 2009-02-04 — — CN disclosed
EP-1948646-A2 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES Auspex Pharmaceuticals Inc. (US) 2008-07-30 — — EP disclosed
WO-2007058998-A2 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-24 — — WO disclosed
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-05-17 — — 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-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties SLC6A4, HTR4, HTR5A CYP3A4 255/4885LMNA 2090/4885CYP2D6 1249/4885
US-20110130424-A1 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES SLC6A4, HTR4, HTR5A CYP3A4 255/4885LMNA 2090/4885CYP2D6 1249/4885

“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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