SCHEMBL2614632

SCHEMBL2614632

CN1CCC(O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
ACHE P22303 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
AVPR2 P30518 5/20 0.37
AVPR1A P37288 4/20 0.37
OXTR P30559 2/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CNR2 P34972 1/20 0.36
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
GPR3 P46089 1/20 0.35
NOTUM Q6P988 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL12923936 1.00 KDM4C (0.40) KDM4CACHETRPV1AVPR2AVPR1A
SCHEMBL12923931 1.00 KDM4C (0.40) KDM4CACHETRPV1AVPR2AVPR1A
SCHEMBL19719690 0.89 AVPR2 (0.43) KDM4CACHEAVPR2AVPR1AOXTR
SCHEMBL27903243 0.80 NOTUM (0.41) ACHESIGMAR1PAX8GPR3NOTUM
SCHEMBL30509271 0.80 NOTUM (0.41) ACHESIGMAR1PAX8GPR3NOTUM
SCHEMBL13954014 0.79 HTR1A (0.37) KDM4CACHETRPV1SIGMAR1GPR3
SCHEMBL10173840 0.78 NOTUM (0.43) KDM4CACHETRPV1SIGMAR1GPR3
SCHEMBL7673078 0.78 NOTUM (0.43) KDM4CACHETRPV1SIGMAR1GPR3
SCHEMBL30274923 0.78 NOTUM (0.43) KDM4CACHETRPV1SIGMAR1GPR3
SCHEMBL29586069 0.77 SLC6A2 (0.49) KDM4CACHETRPV1SIGMAR1GPR3

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
EP-2727594-B1 NAPHTALENE COMPOUNDS TO TREAT ITCH MITSUBISHI TANABE PHARMA CORP (JP) 2017-12-20 EP disclosed
US-8809360-B2 Use of a pyridine compound for the preparation of a medicament for the treatment of skin lesions MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809360-B2 Use of a pyridine compound for the preparation of a medicament for the treatment of skin lesions MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
EP-1941881-B1 Naphthalene derivatives for the treatment of dermatitis and psoriasis MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-13 EP disclosed
EP-2727594-A1 NOVEL PHARMACEUTICAL COMPOSITION Mitsubishi Tanabe Pharma Corporation (JP) 2014-05-07 EP disclosed
EP-1804797-B1 USE OF A PYRIDINE COMPOUND FOR THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF SKIN LESIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-04-25 EP disclosed
US-7868019-B2 Dermatitis treating agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-11 US disclosed
US-7868019-B2 Dermatitis treating agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-11 US disclosed
US-20100130494-A1 DERMATITIS TREATING AGENT (AS AMENDED) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-27 US disclosed
US-20100130494-A1 DERMATITIS TREATING AGENT (AS AMENDED) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-27 US disclosed
CN-101429160-A Synthesis of 1-R-4-amino-1,2,3,4-tetrahydroquinoline SHANGHAI PHARMATECH CO LTD (CN) 2009-05-13 CN disclosed
US-20090069307-A1 Use of a pyridine compound for the preparation of a medicament for the treatment of skin lesions MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-12 US disclosed
US-20090069307-A1 Use of a pyridine compound for the preparation of a medicament for the treatment of skin lesions MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-12 US disclosed
EP-1941881-A1 DERMATITIS REMEDIES TANABE SEIYAKU CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2006046774-A1 USE OF A PYRIDINE COMPOUND FOR THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF SKIN LESIONS TANABE SEIYAKU CO., LTD. (JP) 2006-05-04 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 (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-20100130494-A1 DERMATITIS TREATING AGENT (AS AMENDED) AOX1, TLR7, MYD88 KDM4C 471/4885ACHE 636/4885TRPV1 225/4885
US-20090069307-A1 Use of a pyridine compound for the preparation of a medicament for the treatment of skin lesions NQO1, TYR, NDUFB7 KDM4C 957/4885ACHE 2304/4885TRPV1 382/4885

“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.