SCHEMBL20094630

SCHEMBL20094630

CCCCC(C)N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRL1 P41146 5/20 0.35
OPRM1 P35372 4/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL24040191 0.90 OPRL1 (0.37) TSHROPRL1OPRM1L3MBTL3L3MBTL1
SCHEMBL20655375 0.83 TSHR (0.37) TSHRMEN1KMT2AALDH1A1NPSR1
SCHEMBL803602 0.82 KDM2B (0.39) TSHRMEN1KMT2AALDH1A1OPRM1
SCHEMBL25463735 0.79 OPRL1 (0.38) KMT2AOPRL1OPRM1L3MBTL3L3MBTL1
SCHEMBL20094684 0.78 TSHR (0.35) TSHRMEN1KMT2AALDH1A1NPSR1
SCHEMBL3589255 0.77 KDM2B (0.39) TSHROPRM1TP53GNAI3GNAO1
SCHEMBL24127742 0.76 L3MBTL3 (0.38) TSHRMEN1KMT2AALDH1A1L3MBTL3
SCHEMBL8362610 0.75 OPRM1 (0.34) OPRL1OPRM1
SCHEMBL19101360 0.75 GNAI3 (0.38) OPRM1TP53GNAI3GNAO1GNAI1
SCHEMBL19481207 0.75 GNAI3 (0.38) OPRM1TP53GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111939-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFALMMATORY DISEASES OR CANCER CELON PHARMA S.A. (PL) 2018-04-26 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-20180111939-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFALMMATORY DISEASES OR CANCER AFF2, INF2, AFF1 TSHR 1324/4885MEN1 194/4885KMT2A 3221/4885

“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.