SCHEMBL3362836

SCHEMBL3362836

CC(c1ccccc1)C1(C#N)CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.34
OPRL1 P41146 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
MIF P14174 2/20 0.32
CTSL P07711 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
SCHEMBL2467274 1.00 TRPA1 (0.35) TRPA1TSHRLMNAHPGDCYP2D6
SCHEMBL2436694 0.92 TRPA1 (0.38) TRPA1TSHRCYP2D6OPRL1OPRM1
SCHEMBL3360485 0.92 TRPA1 (0.38) TRPA1TSHRCYP2D6OPRL1OPRM1
SCHEMBL15011397 0.82 CTSL (0.36) LMNACTSL
SCHEMBL625124 0.82 ADRB2 (0.38) TSHRLMNAHPGDOPRM1OPRK1
SCHEMBL624807 0.80 SLC6A2 (0.40) TSHRHPGDOPRL1OPRM1OPRD1
SCHEMBL15011535 0.80 CTSL (0.36) TSHROPRL1OPRM1OPRD1OPRK1
SCHEMBL624834 0.78 PDE2A (0.37) OPRL1OPRM1OPRD1OPRK1
SCHEMBL31118220 0.78 TSHR (0.44) TRPA1TSHRLMNAOPRL1OPRM1
SCHEMBL625774 0.77 ESR1 (0.36) TSHRLMNAOPRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
US-20260007672-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2026-01-08 US disclosed
US-12491185-B2 Inhibitors of mPTP NRG THERAPEUTICS LTD (GB) 2025-12-09 US disclosed
EP-4652162-A1 INHIBITORS OF MPTP NRG Therapeutics LTD (GB) 2025-11-26 EP disclosed
US-20250177397-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2025-06-05 US disclosed
WO-2024153946-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2024-07-25 WO disclosed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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 (6 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-12491185-B2 Inhibitors of mPTP PARK7, PINK1, SNCA TRPA1 698/4885TSHR 3821/4885LMNA 4358/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPA1 7/4885TSHR 1091/4885LMNA 2468/4885
US-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TRPA1 1/4885TSHR 4772/4885LMNA 2578/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TRPA1 1/4885TSHR 4772/4885LMNA 2578/4885
US-20250177397-A1 INHIBITORS OF MPTP PARK7, PINK1, SNCA TRPA1 698/4885TSHR 3821/4885LMNA 4358/4885
US-20260007672-A1 INHIBITORS OF MPTP PARK7, SNCA, CYC1 TRPA1 244/4885TSHR 3311/4885LMNA 2300/4885

“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.