SCHEMBL3899225

SCHEMBL3899225

Cc1ccc(C2(C(=O)O)CCN(Cc3ccccc3)CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.50
▸ OPRL1 P41146 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CCR3 P51677 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ FAAH O00519 1/20 0.46
▸ CHRM2 P08172 2/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SIGMAR1 Q99720 1/20 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
Hydrochloric Acid SCHEMBL3899199 0.90 KDM4E (0.49) CYP2D6OPRL1KDM4ENPSR1CCR3
SCHEMBL2794291 0.83 OPRL1 (0.64) CYP2D6OPRL1KDM4ENPSR1CCR3
Hydrochloric Acid SCHEMBL2793069 0.82 POLB (0.65) CYP2D6OPRL1KDM4ENPSR1CCR3
SCHEMBL3899209 0.81 CCR3 (0.68) CYP2D6OPRL1CCR3POLBCHRM2
SCHEMBL15190515 0.81 OPRL1 (0.47) CYP2D6OPRL1CCR3POLBFAAH
SCHEMBL31223141 0.80 ALDH1A1 (0.56) CYP2D6OPRL1NPSR1CCR3POLB
SCHEMBL5193076 0.80 OPRM1 (0.52) CYP2D6OPRL1CCR3POLBCYP2C19
SCHEMBL4878355 0.79 SIGMAR1 (0.60) CYP2D6KDM4ENPSR1FAAHALDH1A1
SCHEMBL10110060 0.79 AKR1C1 (0.57) CYP2D6CYP2C19CYP3A4CYP2C9MEN1
SCHEMBL3908960 0.77 OPRM1 (0.71) OPRL1CCR3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521449-B2 4-arylmorpholin-3-one derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-04-21 — — US disclosed
US-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 — — 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 (1 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-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF ADRB3, ADRA2C, OPRK1 CYP2D6 64/4885OPRL1 9/4885KDM4E 2111/4885

“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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