SCHEMBL1797974

SCHEMBL1797974

CC(C)Cc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.45
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ KIF11 P52732 2/20 0.41
▸ AR P10275 7/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ RORC P51449 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
SCHEMBL26023591 0.88 TRPV4 (0.43) TRPV4KIF11ARMRGPRX4TRPA1
SCHEMBL11236994 0.84 PDE3B (0.41) PDE3BPDE3AARSLC6A2SLC6A4
SCHEMBL1037550 0.81 TRPV4 (0.49) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL22193269 0.81 TRPV4 (0.53) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL24177142 0.79 TRPV4 (0.50) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL19478936 0.79 TRPV4 (0.46) TRPV4KIF11ARMRGPRX4
SCHEMBL12884378 0.78 FFAR1 (0.42) KIF11CYP19A1
SCHEMBL2263818 0.78 TRPV4 (0.49) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL24146520 0.78 RXRA (0.50) TRPV4KIF11ARMRGPRX4EPHX2
SCHEMBL10298852 0.78 TRPV4 (0.49) TRPV4KIF11ARMRGPRX4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4174069-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-05-03 — — EP disclosed
WO-2022001767-A1 HETEROCYCLIC COMPOUND AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-06 — — WO disclosed
EP-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 — — EP disclosed
EP-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 — — EP disclosed
CN-101415702-B Heterocyclic compounds ASTELLAS PHARMA INC 2011-08-10 — — CN disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 — — US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 — — US disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 — — US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 — — US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 — — US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 — — US disclosed
CN-101415702-A Heterocyclic compounds ASTELLAS PHARMA INC (JP) 2009-04-22 — — CN disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 — — US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 — — US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 — — US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 — — EP disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 — — EP 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-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 TRPV4 2968/4885PDE3B 3142/4885PDE3A 3516/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 TRPV4 2968/4885PDE3B 3142/4885PDE3A 3516/4885

“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.

Send feedback