SCHEMBL13409996

SCHEMBL13409996

C/N=C(\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.42
▸ CNR1 P21554 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACKR3 P25106 2/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL13392111 0.90 TACR2 (0.41) CHRM4CNR1TSHRPRKAB2PRKAG1
SCHEMBL14188217 0.90 TACR2 (0.41) CHRM4CNR1TSHRPRKAB2PRKAG1
SCHEMBL14387790 0.84 KDM4E (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14078053 0.81 PRKAA2 (0.47) CHRM4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13392099 0.81 PRKAA2 (0.47) CHRM4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14387846 0.79 ACKR3 (0.42) CHRM4TSHRPRKAB2PRKAG1PRKAA2
SCHEMBL13391370 0.78 CYP3A4 (0.49) CYP3A4
SCHEMBL13409686 0.78 PRKAB2 (0.45) CHRM4TSHRPRKAB2PRKAG1PRKAA2
SCHEMBL13392115 0.78 ACKR3 (0.41) CHRM4TSHRPRKAB2PRKAG1PRKAA2
SCHEMBL14188203 0.78 ACKR3 (0.41) CHRM4TSHRPRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 — — 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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 CHRM4 2938/4885CNR1 638/4885TSHR 2742/4885

“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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