SCHEMBL29530615

SCHEMBL29530615

O=C(Nc1ccnnc1)N1CCC(C2(S(=O)(=O)c3cccc(F)c3)CCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
NPC1 O15118 1/20 0.44
USP2 O75604 7/20 0.44
ALDH1A1 P00352 6/20 0.44
CYP2C9 P11712 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 7/20 0.43
CYP2C19 P33261 6/20 0.43
RORC P51449 1/20 0.41
CYP3A4 P08684 8/20 0.41
CYP1A2 P05177 4/20 0.41
ALOX15 P16050 1/20 0.39

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
SCHEMBL17949037 1.00 TSHR (0.47) TSHRNPC1USP2ALDH1A1CYP2C9
SCHEMBL17949438 0.96 TSHR (0.49) TSHRNPC1USP2ALDH1A1CYP2C9
SCHEMBL29529765 0.96 TSHR (0.49) TSHRNPC1USP2ALDH1A1CYP2C9
SCHEMBL17949466 0.92 RORC (0.42) TSHRNPC1USP2ALDH1A1CYP2C9
SCHEMBL30833511 0.90 TSHR (0.47) TSHRNPC1USP2ALDH1A1CYP2C9
SCHEMBL17942474 0.90 TSHR (0.47) TSHRNPC1USP2ALDH1A1CYP2C9
SCHEMBL17949001 0.90 TSHR (0.49) TSHRNPC1USP2ALDH1A1CYP2C9
SCHEMBL17949141 0.86 CYP3A4 (0.51) TSHRNPC1USP2ALDH1A1CYP2C9
SCHEMBL17949164 0.83 RORC (0.46) RORC
SCHEMBL17949459 0.83 USP2 (0.46) TSHRUSP2ALDH1A1CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250275952-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MYOKARDIA INC (US) 2025-09-04 US disclosed
US-20220117955-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MyoKardia, Inc. 2022-04-21 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-20250275952-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885USP2 366/4885
US-20220117955-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885USP2 366/4885

“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.