SCHEMBL2075253

SCHEMBL2075253

C1CCC(N2CCNCC2)CC1.CC(C)C1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
SIGMAR1 Q99720 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRD1 P41143 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
OPRL1 P41146 1/20 0.31
PDE7A Q13946 1/20 0.31
MAPK1 P28482 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
SCHEMBL2075166 0.98 HTR6 (0.44) HTR6SIGMAR1HRH3HPGDKMT2A
SCHEMBL943337 0.78 HTR6 (0.64) HTR6HRH3HPGDKMT2ASMN1; SMN2
SCHEMBL451992 0.78 HTR6 (0.64) HTR6HRH3HPGDKMT2ASMN1; SMN2
SCHEMBL1267270 0.78 HTR6 (0.64) HTR6HRH3HPGDKMT2ASMN1; SMN2
SCHEMBL43171 0.78 HTR6 (0.64) HTR6HRH3HPGDKMT2ASMN1; SMN2
Iodomethane SCHEMBL27811080 0.77 HTR6 (0.57) HTR6HRH3HPGDKMT2ASMN1; SMN2
SCHEMBL24375671 0.76 SLC6A2 (0.47) KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7897603 0.76 SLC6A2 (0.47) KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL18531650 0.76 SLC6A2 (0.47) KMT2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6499302 0.76 HTR6 (0.61) HTR6HRH3HPGDKMT2ASMN1; 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 151/4885SIGMAR1 222/4885HRH3 8/4885

“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.