SCHEMBL2124907

SCHEMBL2124907

NC1CCCC(OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.48
DPP4 P27487 1/20 0.47
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
AGTR2 P50052 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

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
Hydrochloric Acid SCHEMBL25392133 0.98 TRPM8 (0.47) TRPM8DPP4CTSLCTSBCTSK
Hydrochloric Acid SCHEMBL25392132 0.98 TRPM8 (0.47) TRPM8DPP4CTSLCTSBCTSK
SCHEMBL15575649 0.90 DPP4 (0.49) TRPM8DPP4CTSLCTSBCTSK
SCHEMBL15575646 0.90 DPP4 (0.49) TRPM8DPP4CTSLCTSBCTSK
SCHEMBL15575648 0.90 DPP4 (0.49) TRPM8DPP4CTSLCTSBCTSK
SCHEMBL24752799 0.88 DPP4 (0.51) TRPM8DPP4CTSLCTSBCTSK
SCHEMBL11900955 0.84 CTSL (0.50) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL3828230 0.84 CTSL (0.50) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL2633959 0.84 CTSL (0.50) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL3660170 0.84 OPRM1 (0.56) DPP4CTSLCTSBCTSKOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207219-B2 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2012-06-26 US disclosed
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2012-04-19 US disclosed
US-20100120890-A1 ION CHANNEL MODULATING ACTIVITY I CARDIOME PHARMA CORP. (CA) 2010-05-13 US disclosed
US-7674820-B2 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2010-03-09 US disclosed
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2009-10-29 US disclosed
US-7507545-B2 Ion channel modulating activity method CARDIOME PHARMA CORP. (CA) 2009-03-24 US disclosed
US-20060199848-A9 Cardiovascular disorders; antiarrhythmai agenst; sodium channel moderators; potassium channel moderators; prevent fibrillation CARDIOME PHARMA CORP. (CA) 2006-09-07 US disclosed
US-20060135536-A9 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2006-06-22 US disclosed
US-20050119315-A1 Ion channel modulating activity II CARDIOME PHARMA CORP. (CA) 2005-06-02 US disclosed
US-20050070552-A1 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2005-03-31 US disclosed
WO-2005018635-A2 ION CHANNEL MODULATING ACTIVITY I CARDIOME PHARMA CORP. (CA) 2005-03-03 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 (7 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-20050119315-A1 Ion channel modulating activity II KCNH1, KCNN3, KCNJ2 TRPM8 39/4885DPP4 3058/4885CTSL 2895/4885
US-20050070552-A1 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 TRPM8 52/4885DPP4 2861/4885CTSL 2060/4885
US-20100120890-A1 ION CHANNEL MODULATING ACTIVITY I KCNN1, KCNN3, KCNH1 TRPM8 52/4885DPP4 2861/4885CTSL 2060/4885
US-20060199848-A9 Cardiovascular disorders; antiarrhythmai agenst; sodium channel moderators; potassium channel moderators; prevent fibrillation KCNN3, KCNN1, KCNN2 TRPM8 84/4885DPP4 2368/4885CTSL 3299/4885
US-20060135536-A9 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 TRPM8 52/4885DPP4 2861/4885CTSL 2060/4885
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNN2 TRPM8 38/4885DPP4 3272/4885CTSL 3156/4885
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNJ2 TRPM8 39/4885DPP4 3058/4885CTSL 2895/4885

“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.