SCHEMBL15858711

SCHEMBL15858711

CC(C)n1nc(C(C)(C)C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.50
▸ MPO P05164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR4 Q13639 11/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ HTR6 P50406 2/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 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
SCHEMBL15723690 0.86 SSTR4 (0.48) SSTR4MPOALDH1A1CYP1A2CYP2C19
SCHEMBL14555462 0.84 CYP11B2 (0.47) SSTR4MPOALDH1A1CYP1A2CYP2C19
SCHEMBL2616445 0.76 SSTR4 (0.47) SSTR4HTR2CHTR2B
SCHEMBL31495822 0.76 SMN1; SMN2 (0.49) MPOALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL13174590 0.76 SMN1; SMN2 (0.49) MPOALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL10103719 0.74 MPO (0.42) SSTR4MPOALDH1A1CYP1A2CYP2C19
SCHEMBL14584040 0.74 PDE4A (0.37) SSTR4ALDH1A1SMN1; SMN2KMT2ACYP11B2
SCHEMBL13708517 0.74 MPO (0.42) SSTR4MPOALDH1A1CYP1A2CYP2C19
SCHEMBL13322634 0.74 KMT2A (0.44) SSTR4MPOALDH1A1CYP1A2CYP2C19
SCHEMBL19699881 0.74 MPO (0.42) SSTR4MPOALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636335-B2 Heteroaryl compounds as 5-HT4 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2017-05-02 — — US disclosed
US-9636335-B2 Heteroaryl compounds as 5-HT4 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2017-05-02 — — US disclosed
US-20150283125-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-08 — — US disclosed
US-9079894-B2 Heteroaryl compounds as 5-HT4 receptor ligands SUVEN LIFE SCIENCES LTD (IN) 2015-07-14 — — US disclosed
US-20140187581-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-07-03 — — 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-20150283125-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS HTR4, HTR5A, HTR2C SSTR4 43/4885MPO 4414/4885ALDH1A1 921/4885
US-20140187581-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS HTR4, HTR5A, HTR2C SSTR4 43/4885MPO 4414/4885ALDH1A1 921/4885

“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