SCHEMBL1814804

SCHEMBL1814804

NC1CCN(c2ccc(C(=O)O)nn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PRKCQ Q04759 1/20 0.41
▸ SCD O00767 2/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40

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
SCHEMBL5183213 0.91 PRKCQ (0.44) LMNAHTTHRH3PRKCQSCD
SCHEMBL15754487 0.86 LMNA (0.50) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1814064 0.82 LMNA (0.47) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20021209 0.80 CYP1A2 (0.53) LMNAHTTCYP1A2CNR2
SCHEMBL22042051 0.80 ACKR3 (0.45) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL22042049 0.80 ACKR3 (0.45) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL27687447 0.79 SCD (0.45) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1818131 0.78 LMNA (0.36) LMNAHTTHTR3ACNR2
SCHEMBL22557496 0.78 LMNA (0.41) LMNAHTTSCDCNR2DCTPP1
SCHEMBL2421817 0.78 BPTF (0.56) LMNAHTTMEN1KMT2AHTR3E

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-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 — — US claimed
EP-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 — — EP claimed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 — — WO claimed
US-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 — — US disclosed
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 — — US disclosed
CN-101084212-A Heterocyclic derivatives and their use as mediators of stearoyl-coa desaturase XENON PHARMACEUTICALS INC (CA) 2007-12-05 — — CN disclosed
EP-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 — — EP disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 — — 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 (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-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase SCD, SCD5, NR1H2 LMNA 475/4885HTT 2478/4885MEN1 4565/4885

“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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