SCHEMBL12982575

SCHEMBL12982575

CCOCC1(c2cc[c]cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
TACR1 P25103 12/20 0.35
SLC6A4 P31645 7/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL12981204 0.86 CHRM2 (0.41) CHRM2CHRM1TACR1
SCHEMBL12982524 0.83 CHRM2 (0.40) CHRM2CHRM1TACR1SLC6A4ICAM1
SCHEMBL12982489 0.82 SLC6A2 (0.34) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL2445811 0.81 P2RY1 (0.33) TACR1MAOAMAOBTAAR1
SCHEMBL10316662 0.78 MAOA (0.35) SLC6A4SLC6A3MAOAMAOBTAAR1
SCHEMBL11890684 0.78 CHRM2 (0.40) CHRM2CHRM1TACR1SLC6A4SLC6A2
SCHEMBL15043643 0.78 SLC6A4 (0.45) CHRM2CHRM1TACR1SLC6A4SLC6A2
SCHEMBL12981503 0.76 TACR1 (0.63) TACR1SLC6A4
SCHEMBL12981604 0.75 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL12981197 0.74 CHRM2 (0.32) CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN claimed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN 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-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR CHRM2 55/4885CHRM1 65/4885TACR1 495/4885

“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.