SCHEMBL9657678

SCHEMBL9657678

Cc1ccc(N)c(Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
HTR2A P28223 1/20 0.41
CALM1 P0DP23 1/20 0.41
IDH1 O75874 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL22688325 0.88 ALOX15 (0.48) CYP3A4CYP2D6CYP2C19TP53THRB
SCHEMBL27902741 0.85 CYP3A4 (0.48) CYP3A4CYP2D6TSHRCYP2C19TP53
SCHEMBL810597 0.85 HDAC6 (0.47) CYP3A4CYP2D6TSHRCYP2C19TP53
SCHEMBL12463289 0.83 ALOX15 (0.56) CYP3A4TSHRTP53THRBALOX15
SCHEMBL4442750 0.82 BCL2 (0.54) CYP3A4CYP2D6TSHRCYP2C19ALOX15
SCHEMBL29454271 0.81 BCL2 (0.44) CYP3A4CYP2D6TSHRCYP2C19HDAC6
SCHEMBL22232131 0.81 BCL2 (0.44) CYP3A4CYP2D6TSHRCYP2C19HDAC6
SCHEMBL9172065 0.80 HDAC6 (0.55) SMN1; SMN2TDP1HDAC6HTR2ANPC1
Ammonia Solution, Strong SCHEMBL2494070 0.80 MAPT (0.47) CYP3A4TP53THRBALOX15SMN1; SMN2
SCHEMBL6839208 0.80 HTR2A (0.48) CYP3A4TSHRTDP1BCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115243764-B Heterocyclic derivatives as TRMP antagonists 奇华顿股份有限公司 2025-01-03 CN disclosed
US-20230098332-A1 HETEROCYCLIC DERIVATIVES AS TRMP8 ANTAGONISTS GIVAUDAN SA (CH) 2023-03-30 US disclosed
EP-4114523-A1 HETEROCYCLIC DERIVATIVES AS TRMP8 ANTAGONISTS Givaudan SA (CH) 2023-01-11 EP disclosed
CN-115243764-A Heterocyclic derivatives as TRMP8 antagonists 奇华顿股份有限公司 2022-10-25 CN disclosed
WO-2018049296-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-03-15 WO disclosed
WO-2016113757-A1 NOVEL RECYCLABLE IODINATING AGENT AND ITS APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-21 WO disclosed
EP-0301549-B1 1-[2-(Phenylmethyl)phenyl]-piperazine compounds, a process for preparing them and pharmaceutical compostions containing them FERRER INTERNACIONAL, S.A. (ES) 1992-10-28 EP disclosed
US-4859675-A 1-[2-(phenylmethyl) phenyl]piperazines as antidepressants FERRER INTERNACIONAL S.A. (ES) 1989-08-22 US disclosed
EP-0301549-A1 1-[2-(Phenylmethyl)phenyl]-piperazine compounds, a process for preparing them and pharmaceutical compostions containing them FERRER INTERNACIONAL, S.A. (ES) 1989-02-01 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 (1 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-20230098332-A1 HETEROCYCLIC DERIVATIVES AS TRMP8 ANTAGONISTS TRPM8, TRPM7, TRPM5 CYP3A4 1202/4885CYP2D6 1109/4885TSHR 1944/4885

“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.