SCHEMBL19631595

SCHEMBL19631595

CC[C@@]1(N2CCN(Cc3ccc(C#N)cc3)CC2)CCO[C@@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.44
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 6/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DRD4 P21917 1/20 0.38
HIF1A Q16665 2/20 0.38
CCR2 P41597 1/20 0.37

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
SCHEMBL21221671 1.00 USP2 (0.44) USP2TSHRMEN1KMT2ACYP2C9
SCHEMBL19631596 1.00 USP2 (0.44) USP2TSHRMEN1KMT2ACYP2C9
SCHEMBL21221623 1.00 USP2 (0.44) USP2TSHRMEN1KMT2ACYP2C9
SCHEMBL21221666 0.85 SIGMAR1 (0.48)
SCHEMBL21221636 0.85 SIGMAR1 (0.48)
SCHEMBL19631722 0.84 USP2 (0.49) USP2TSHRMEN1KMT2ACYP2C9
SCHEMBL19631732 0.81 USP2 (0.42) USP2TSHRMEN1KMT2ACYP2C9
SCHEMBL19631893 0.74 HTR7 (0.47)
SCHEMBL21221638 0.74 HTR7 (0.47)
SCHEMBL19631660 0.73 USP2 (0.52) USP2TSHRMEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-10-20 US claimed
EP-3458450-B1 TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-07-01 EP claimed
US-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US claimed
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-10-20 US disclosed
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-10-20 US disclosed
EP-3458450-B1 TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-07-01 EP disclosed
EP-3458450-B1 TETRAHYDROPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-07-01 EP disclosed
US-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US disclosed
US-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US disclosed
WO-2017198339-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-11-23 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-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRK1 USP2 4303/4885TSHR 380/4885MEN1 4883/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 USP2 4303/4885TSHR 380/4885MEN1 4883/4885

“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.