SCHEMBL19972377

SCHEMBL19972377

CCCC[Sn](CCCC)(CCCC)C(CCC/N=C/c1ccc(OC)cc1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL19972378 1.00 CYP1A2 (0.43) CYP1A2TAS1R3TAS1R1KMT2ASMN1; SMN2
SCHEMBL19972385 0.83 SMN1; SMN2 (0.31) KMT2ASMN1; SMN2MEN1
SCHEMBL19972389 0.83 SMN1; SMN2 (0.31) KMT2ASMN1; SMN2MEN1
SCHEMBL9781269 0.74 ALDH1A1 (0.57) CYP1A2KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL3792539 0.74 ALDH1A1 (0.57) CYP1A2KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL20871104 0.72 ALDH1A1 (0.56) CYP1A2KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL20871376 0.71 ALDH1A1 (0.55) CYP1A2KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL20871369 0.71 ALDH1A1 (0.55) CYP1A2KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL19233527 0.71 ALDH1A1 (0.55) CYP1A2KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL20871374 0.71 ALDH1A1 (0.55) CYP1A2KMT2ASMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 CYP1A2 420/4885TAS1R3 2757/4885TAS1R1 2341/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 CYP1A2 420/4885TAS1R3 2757/4885TAS1R1 2341/4885

“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.