SCHEMBL1334085

SCHEMBL1334085

[CH2]C(C)(C)c1ncccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
NFE2L2 Q16236 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DHODH Q02127 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
DPP4 P27487 1/20 0.33
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL179292 0.83 TRPV1 (0.37) LMNANFE2L2ALDH1A1KDM4ETDP1
SCHEMBL27748876 0.80 NFE2L2 (0.34) LMNANFE2L2SMN1; SMN2MEN1KMT2A
SCHEMBL18668145 0.79 HSD11B1 (0.39) LMNANFE2L2SMN1; SMN2ALDH1A1GAA
SCHEMBL29724855 0.79 DPP4 (0.36) LMNANFE2L2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL369947 0.79 TRPV1 (0.35) NFE2L2TDP1TRPV1
SCHEMBL3866262 0.79 JAK2 (0.33) LMNANFE2L2ALDH1A1GAATRPV1
SCHEMBL30592740 0.78 TDP1 (0.39) LMNANFE2L2SMN1; SMN2ALDH1A1GAA
SCHEMBL3257764 0.78 TDP1 (0.39) LMNANFE2L2SMN1; SMN2ALDH1A1GAA
SCHEMBL1332434 0.77 NOS3 (0.45) LMNASMN1; SMN2KDM4EKMT2ACCR1
SCHEMBL20609516 0.76 TDP1 (0.40) LMNANFE2L2SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-17 US disclosed
US-7799786-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-09-21 US disclosed
EP-1810970-B1 Therapeutic piperazine compounds EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
US-20080153835-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-06-26 US disclosed
EP-1556354-B1 THERAPEUTIC PIPERAZINE DERIVATES USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2008-01-23 EP disclosed
US-7279493-B2 cyanoiminopiperazines which inhibit vanilloid receptor 1 function in a cell EURO-CELTIQUE S.A. 2007-10-09 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-20080153835-A1 Therapeutic agents useful for treating pain CHRM2, CHRM1, MC1R LMNA 2309/4885NFE2L2 3363/4885SMN1; SMN2 59/4885
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRM2, CHRM1, MC1R LMNA 2309/4885NFE2L2 3363/4885SMN1; SMN2 59/4885

“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.