SCHEMBL4270641

SCHEMBL4270641

O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.69
TSHR P16473 2/20 0.68
USP2 O75604 1/20 0.68
LMNA P02545 1/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
NPSR1 Q6W5P4 1/20 0.66
ALDH1A1 P00352 1/20 0.66
KMT2A Q03164 1/20 0.64
MCOLN3 Q8TDD5 2/20 0.63
AKR1C3 P42330 2/20 0.62
PKM P14618 2/20 0.61

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
SCHEMBL6177993 0.89 LMNA (0.67) CNR1TSHRUSP2LMNAMAPK1
SCHEMBL19976581 0.83 PKM (0.56) TSHRUSP2LMNAMAPK1HSD17B10
SCHEMBL1387210 0.82 F10 (0.82) TSHRUSP2LMNAMAPK1HSD17B10
SCHEMBL4272492 0.82 CNR1 (1.00) CNR1TSHRLMNANPSR1ALDH1A1
SCHEMBL6794953 0.82 LMNA (0.78) TSHRUSP2LMNAMAPK1HSD17B10
SCHEMBL6787216 0.82 KMT2A (0.65) TSHRUSP2LMNAMAPK1HSD17B10
SCHEMBL6798769 0.81 F10 (0.76) TSHRUSP2LMNAMAPK1HSD17B10
SCHEMBL1387222 0.80 TSHR (0.76) TSHRUSP2LMNAMAPK1HSD17B10
SCHEMBL18134604 0.80 MCOLN3 (0.83) TSHRLMNAKMT2AMCOLN3PKM
SCHEMBL751729 0.80 ALDH1A1 (1.00) CNR1TSHRUSP2LMNAMAPK1

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-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-10-01 US claimed
EP-2056828-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-05-13 EP claimed
WO-2008024284-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-02-28 WO claimed
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-10-01 US disclosed
EP-2056828-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-05-13 EP disclosed
WO-2008024284-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-02-28 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 CNR1 3300/4885TSHR 2408/4885USP2 3122/4885
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH CNR1 1/4885TSHR 784/4885USP2 1946/4885

“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.