SCHEMBL22957816

SCHEMBL22957816

CC(C)(C)NCc1ccccc1OCC1CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.60
▸ HTT P42858 1/20 0.49
▸ HTR2C P28335 3/20 0.46
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ P2RX4 Q99571 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL22957672 0.97 RIPK1 (0.60) RIPK1HTTHTR2CNPY1RNPY2R
SCHEMBL22957658 0.94 RIPK1 (0.68) RIPK1HTTHTR2CNPY1RNPY2R
SCHEMBL22957773 0.85 RIPK1 (0.55) RIPK1HTR2CMCHR1HPGDSLC6A2
SCHEMBL22957661 0.83 RIPK1 (0.61) RIPK1HTTHTR2CMEN1CYP1A2
SCHEMBL22391548 0.82 RIPK1 (0.88) RIPK1HTR2CMCHR1P2RX4MEN1
SCHEMBL22957766 0.82 RIPK1 (0.55) RIPK1HTR2CMCHR1SLC6A2SLC6A4
SCHEMBL22957853 0.81 NPY1R (0.49) RIPK1HTTHTR2CNPY1RNPY2R
SCHEMBL22957805 0.81 RIPK1 (0.54) RIPK1HTR2CMCHR1SLC6A2SLC6A4
SCHEMBL24018785 0.79 RIPK1 (0.51) RIPK1HTR2CMCHR1P2RX4MAPT
SCHEMBL22390530 0.79 RIPK1 (0.88) RIPK1HTR2CMCHR1MEN1CYP1A2

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-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 RIPK1 1/4885HTT 4152/4885HTR2C 3116/4885

“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.

Send feedback