SCHEMBL12449663

SCHEMBL12449663

C[C@H]1CCCN(C(=O)c2ccoc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
ALDH1A1 P00352 3/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 1/20 0.55
GRM5 P41594 2/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
HPGD P15428 1/20 0.50
NAMPT P43490 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL19002209 1.00 RECQL (0.63) RECQLALDH1A1CA12CA1CA2
SCHEMBL12986 1.00 RECQL (0.63) RECQLALDH1A1CA12CA1CA2
SCHEMBL6684885 0.83 RECQL (0.82) RECQLALDH1A1CA12CA1CA2
SCHEMBL18997081 0.82 ALDH1A1 (0.54) RECQLALDH1A1KMT2AMEN1POLB
SCHEMBL21776398 0.82 ALDH1A1 (0.54) RECQLALDH1A1KMT2AMEN1POLB
SCHEMBL19002214 0.82 ALDH1A1 (0.54) RECQLALDH1A1KMT2AMEN1POLB
SCHEMBL21169554 0.82 KMT2A (0.60) RECQLALDH1A1KMT2AMEN1POLB
SCHEMBL18082875 0.82 ALDH1A1 (0.54) RECQLALDH1A1KMT2AMEN1POLB
SCHEMBL16802100 0.80 CHRNB2 (0.52) ALDH1A1KMT2AMEN1POLBCHRNB2
SCHEMBL28159515 0.80 HPGD (0.59) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RECQL 2771/4885ALDH1A1 3185/4885CA12 4472/4885

“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.