SCHEMBL12084775

SCHEMBL12084775

CC(C)(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ EPHX2 P34913 3/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ GPR119 Q8TDV5 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ FAAH O00519 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9824696 0.83 TRPV1 (0.48) TRPV1SMN1; SMN2TP53HPGDEPHX2
SCHEMBL2599660 0.82 SMN1; SMN2 (0.63) TRPV1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL13058340 0.81 SLC6A2 (0.48) TRPV1SMN1; SMN2TP53HPGDEPHX2
SCHEMBL12083940 0.80 CA1 (0.57) HPGDRAB9ALMNAMAPK1TDP1
SCHEMBL514352 0.78 CA1 (0.64) TRPV1SMN1; SMN2TP53HPGDEPHX2
SCHEMBL3874936 0.78 NPSR1 (0.48) TRPV1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL4654242 0.78 MLYCD (0.60) TRPV1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL12086361 0.78 MLYCD (0.63) SMN1; SMN2HPGDMEN1KMT2ASLC6A2
SCHEMBL13035442 0.77 HDAC4 (0.49) TRPV1SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL24143786 0.77 TRPV1 (0.54) TRPV1SMN1; SMN2TP53HPGDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 — — US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 — — US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 — — US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 — — US disclosed
US-7879834-B2 spiro[indoline-3,4'-piperidine] derivatives, used for the treatment of nervous system disorders, chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects, Alzheimer's disiease, obesity or as analgesics and antidepressants VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 — — US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — 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 (3 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 TRPV1 153/4885SMN1; SMN2 3349/4885TP53 4383/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 TRPV1 153/4885SMN1; SMN2 3349/4885TP53 4383/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 TRPV1 142/4885SMN1; SMN2 3746/4885TP53 4273/4885

“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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