SCHEMBL16472496

SCHEMBL16472496

CC(C)NC(=O)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.52
▸ GRM5 P41594 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ NPC1 O15118 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ MLYCD O95822 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL22387736 0.81 HDAC1 (0.56) NPC1KMT2ARAB9A
SCHEMBL9906415 0.81 EPHX2 (0.44) NPC1KMT2ACNR1RAB9A
SCHEMBL17660295 0.80 MLYCD (0.46) NPC1KMT2AMLYCDRAB9A
SCHEMBL19164278 0.80 ANO1 (0.44) NPC1KMT2ARAB9A
SCHEMBL14186811 0.78 CHRM2 (0.56) CHRM2GRM5SIGMAR1CNR1TRPA1
SCHEMBL16478648 0.78 CNR1 (0.57) CHRM2GRM5SIGMAR1NPC1KMT2A
SCHEMBL13164714 0.78 GRM5 (0.56) CHRM2GRM5SIGMAR1NPC1KMT2A
SCHEMBL1397745 0.78 MAPK1 (0.61) NPC1KMT2ARAB9A
SCHEMBL3486437 0.78 KMT2A (0.44) NPC1KMT2ARAB9A
SCHEMBL9906417 0.77 CNR1 (0.43) NPC1KMT2AMEN1CNR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 — — US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 — — US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 — — 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 (2 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-20230183229-A1 Compounds UGT1A1, CYP1A1, CYP1B1 CHRM2 3655/4885GRM5 3812/4885SIGMAR1 1258/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 CHRM2 4853/4885GRM5 1536/4885SIGMAR1 4192/4885

“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.

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