SCHEMBL17949166

SCHEMBL17949166

C[C@@](F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.45
CYP3A4 P08684 2/20 0.44
NR1I2 O75469 1/20 0.44
CACNA1B Q00975 1/20 0.44
HPGDS O60760 1/20 0.41
CYP2C9 P11712 5/20 0.40
USP2 O75604 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
SPR P35270 1/20 0.39
FAAH O00519 1/20 0.39
PAX8 Q06710 1/20 0.39
LMNA P02545 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
SCHEMBL17949199 1.00 TSHR (0.48) TSHRNPC1CYP3A4NR1I2CACNA1B
SCHEMBL29529953 1.00 TSHR (0.48) TSHRNPC1CYP3A4NR1I2CACNA1B
SCHEMBL17949198 1.00 TSHR (0.48) TSHRNPC1CYP3A4NR1I2CACNA1B
SCHEMBL29529870 1.00 TSHR (0.48) TSHRNPC1CYP3A4NR1I2CACNA1B
SCHEMBL30833428 1.00 TSHR (0.48) TSHRNPC1CYP3A4NR1I2CACNA1B
Trifluoroacetic Acid SCHEMBL29529844 0.97 TSHR (0.47) TSHRNPC1CYP3A4NR1I2CACNA1B
Trifluoroacetic Acid SCHEMBL17942549 0.97 TSHR (0.47) TSHRNPC1CYP3A4NR1I2CACNA1B
SCHEMBL17942446 0.93 TSHR (0.52) TSHRNPC1CYP3A4NR1I2CACNA1B
SCHEMBL29529666 0.92 TSHR (0.47) TSHRNPC1CYP3A4NR1I2CACNA1B
SCHEMBL17949337 0.92 TSHR (0.47) TSHRNPC1CYP3A4NR1I2CACNA1B

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-3247707-B1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS USEFUL FOR THE TREATMENT OF CARDIAC DISORDERS SUCH AS DILATED CARDIOMYOPATHY (DCM) MYOKARDIA INC (US) 2023-05-31 EP disclosed
EP-3247707-B1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS USEFUL FOR THE TREATMENT OF CARDIAC DISORDERS SUCH AS DILATED CARDIOMYOPATHY (DCM) MYOKARDIA INC (US) 2023-05-31 EP disclosed
US-20220117955-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MyoKardia, Inc. 2022-04-21 US disclosed
US-11123337-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2021-09-21 US disclosed
US-11123337-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2021-09-21 US disclosed
US-20200345716-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2020-11-05 US disclosed
US-20200345716-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2020-11-05 US disclosed
US-10758525-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2020-09-01 US disclosed
US-10758525-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2020-09-01 US disclosed
US-20200113887-A9 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MyoKardia, Inc. 2020-04-16 US disclosed
US-20200113887-A9 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MyoKardia, Inc. 2020-04-16 US disclosed
US-20190269669-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MYOKARDIA INC (US) 2019-09-05 US disclosed
US-20190269669-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS MYOKARDIA INC (US) 2019-09-05 US disclosed
US-9925177-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2018-03-27 US disclosed
US-9925177-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2018-03-27 US disclosed
US-9925177-B2 4-methylsulfonyl-substituted piperidine urea compounds MyoKardia, Inc. (US) 2018-03-27 US disclosed
US-20160243100-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2016-08-25 US disclosed
US-20160243100-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2016-08-25 US disclosed
US-20160243100-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds MyoKardia, Inc. 2016-08-25 US disclosed
WO-2016118774-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS FOR THE TREATMENT OF DILATED CARDIOMYOPATHY (DCM) MyoKardia, Inc. (US) 2016-07-28 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 (7 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-20200113887-A9 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885CYP3A4 4065/4885
US-20220117955-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885CYP3A4 4065/4885
US-10758525-B2 4-methylsulfonyl-substituted piperidine urea compounds TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885CYP3A4 4065/4885
US-20190269669-A1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885CYP3A4 4065/4885
US-20200345716-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885CYP3A4 4065/4885
US-20160243100-A1 4-Methylsulfonyl-Substituted Piperidine Urea Compounds TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885CYP3A4 4065/4885
US-11123337-B2 4-methylsulfonyl-substituted piperidine urea compounds TNNI3, UMPS, TNNT2 TSHR 3993/4885NPC1 2311/4885CYP3A4 4065/4885

“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.