SCHEMBL77639

SCHEMBL77639

O=C(OCc1ccccc1)N1CCC(O)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.76
NPC1 O15118 3/20 0.76
RAB9A P51151 3/20 0.76
CYP2C19 P33261 1/20 0.72
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GRIN2B Q13224 9/20 0.60
HTT P42858 1/20 0.60
CYP2D6 P10635 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP3A4 P08684 3/20 0.55
ENPP2 Q13822 1/20 0.54

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
SCHEMBL13547248 0.94 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29152562 0.94 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Alcohol SCHEMBL27865721 0.94 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL504665 0.94 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5804486 0.93 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18084792 0.93 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL540519 0.91 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18084813 0.91 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1841984 0.91 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL492951 0.91 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 821 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 US claimed
JP-2011526260-A 2011-10-06 JP claimed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 US claimed
EP-2291375-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2011-03-09 EP claimed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 WO claimed
EP-4747235-A1 KV1.3 POTASSIUM CHANNEL ANTAGONISTS Muna Therapeutics ApS (DK) 2026-05-27 EP disclosed
US-12630562-B2 Piperidylurea compounds and methods of use thereof ARCUS BIOSCIENCES, INC. (US) 2026-05-19 US disclosed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
WO-2026090173-A1 MODIFIED SELF-IMMOLATING MOIETIES IN ANTIBODY-DRUG CONJUGATES CODEABLE THERAPEUTICS, INCORPORATED (US) 2026-04-30 WO disclosed
EP-3886904-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-04-22 EP disclosed
EP-4725560-A2 ANTI-B7H3 ANTIBODIES FOR THE PREPARATION OF ANTIBODY DRUG CONJUGATES (ADCS) OF KSP INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2026-04-15 EP disclosed
EP-4724435-A1 BIFUNCTIONAL AZINES CONJOGATES AS SELECTIVE DEGRADERS OF SMARCA2 AND THERAPEUTIC USES THEREOF Nurix Therapeutics, Inc. (US) 2026-04-15 EP disclosed
EP-0533344-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-24 EP disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP disclosed
US-5039710-A Homocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-08-13 US disclosed
EP-0309424-A2 New amidino derivatives ISTITUTO DE ANGELI S.p.A. (IT) 1989-03-29 EP disclosed
EP-0309422-A2 New amidino tricycle derivatives ISTITUTO DE ANGELI S.p.A. (IT) 1989-03-29 EP disclosed
US-4803201-A Homocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-07 US disclosed
EP-0112603-B1 APHIDICOLANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-04 EP disclosed
EP-0112603-A1 Aphidicolane derivatives, their preparation and pharmaceutical compositions comprising them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-04 EP 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 (3 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-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS SMN1; SMN2 2443/4885NPC1 2476/4885RAB9A 58/4885
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MKI67, CCNT1, CCNI SMN1; SMN2 1261/4885NPC1 4094/4885RAB9A 2979/4885
US-12630562-B2 Piperidylurea compounds and methods of use thereof CLIC1, HCCS, CNR1 SMN1; SMN2 1154/4885NPC1 73/4885RAB9A 767/4885

“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.