SCHEMBL12250

SCHEMBL12250

C[C@@H]1CCCN(Cc2cccnc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.65
CHRNA4 P43681 1/20 0.65
ALDH1A1 P00352 2/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.53
PDE2A O00408 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
ROCK2 O75116 1/20 0.50
CCR2 P41597 1/20 0.50
ROCK1 Q13464 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
TRPV6 Q9H1D0 1/20 0.47

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
SCHEMBL12449679 1.00 CHRNB2 (0.65) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL13212690 1.00 CHRNB2 (0.65) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL14197746 0.91 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL15014505 0.89 CHRNB2 (0.69) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL12424313 0.83 CHRNB2 (0.61) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL27196354 0.83 CHRNB2 (0.65) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL30524399 0.83 ALDH1A1 (0.68) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL13850152 0.83 CHRNB2 (0.65) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL12384425 0.82 CHRNB2 (0.60) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL19368224 0.82 CHRNB2 (0.60) CHRNB2CHRNA4ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CHRNB2 4214/4885CHRNA4 3715/4885ALDH1A1 3185/4885

“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.