SCHEMBL4818043

SCHEMBL4818043

Cc1ccc(C(=O)CN2CCN(C(C)c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
CYP2D6 P10635 2/20 0.53
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KDR P35968 1/20 0.51
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 2/20 0.48
MC4R P32245 1/20 0.48
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4818548 1.00 MEN1 (0.59) MEN1KMT2AHDAC4HDAC1CYP2D6
SCHEMBL4818889 1.00 MEN1 (0.59) MEN1KMT2AHDAC4HDAC1CYP2D6
Hydrochloric Acid SCHEMBL4819636 0.99 MEN1 (0.58) MEN1KMT2AHDAC4HDAC1CYP2D6
Hydrochloric Acid SCHEMBL4820198 0.99 MEN1 (0.58) MEN1KMT2AHDAC4HDAC1CYP2D6
Hydrochloric Acid SCHEMBL4814140 0.99 MEN1 (0.58) MEN1KMT2AHDAC4HDAC1CYP2D6
SCHEMBL13316842 0.83 MEN1 (0.69) MEN1KMT2ACYP2D6SLC6A4SLC6A3
SCHEMBL4812111 0.83 KMT2A (0.52) MEN1KMT2ASLC6A4SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL4810240 0.82 KMT2A (0.51) MEN1KMT2ASLC6A4SLC6A3ALDH1A1
SCHEMBL13150333 0.81 HDAC4 (0.49) MEN1KMT2AHDAC4HDAC1CYP2D6
SCHEMBL13150096 0.81 ALDH1A1 (0.56) MEN1KMT2AHDAC4HDAC1CYP2D6

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
US-7332495-B2 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2008-02-19 US claimed
US-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2006-07-06 US claimed
US-7332495-B2 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2008-02-19 US disclosed
US-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2006-07-06 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 (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-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent AAK1, KCNJ1, KHK MEN1 4866/4885KMT2A 949/4885HDAC4 422/4885

“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.