SCHEMBL2073141

SCHEMBL2073141

C1CCC(N2CCNCC2)C1.COC1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
HRH3 Q9Y5N1 7/20 0.41
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 1/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL233141 0.82 CHRM2 (0.37) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL271868 0.82 HTR6 (0.67) HTR6HRH3KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL18693791 0.81 CHRM2 (0.36) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL1825076 0.80 HRH3 (0.42) HRH3KMT2AABCB1NPC1RAB9A
Hydrochloric Acid SCHEMBL452359 0.80 HTR6 (0.64) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL451992 0.80 HTR6 (0.64) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL943337 0.80 HTR6 (0.64) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL43171 0.80 HTR6 (0.64) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL1267270 0.80 HTR6 (0.64) HTR6HRH3KMT2AHPGDSMN1; SMN2
Iodomethane SCHEMBL27811080 0.78 HTR6 (0.57) HTR6HRH3KMT2AHPGDSMN1; 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-7902184-B2 Piperazinyl pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-20070281921-A1 Piperidinyl pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2007-12-06 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-20070281921-A1 Piperidinyl pyrimidine derivatives HRH2, P2RX5, P2RX3 HTR6 151/4885HRH3 8/4885KMT2A 1101/4885

“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.