SCHEMBL529330

SCHEMBL529330

NCC1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
ALDH1A1 P00352 2/20 0.71
GAA P10253 1/20 0.71
EPHX1 P07099 1/20 0.60
DPP4 P27487 7/20 0.58
DPP7 Q9UHL4 7/20 0.58
KCNH2 Q12809 4/20 0.58
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CPB1 P15086 1/20 0.51

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
SCHEMBL3816681 1.00 TSHR (0.71) TSHRALDH1A1GAAEPHX1DPP4
Hydrochloric Acid SCHEMBL4151894 0.99 TSHR (0.70) TSHRALDH1A1GAAEPHX1DPP4
Hydrochloric Acid SCHEMBL4151898 0.99 TSHR (0.70) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL381922 0.90 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3948456 0.90 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3948461 0.90 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.88 ALDH1A1 (0.83) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL23871825 0.87 TSHR (0.61) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL2681634 0.87 ALDH1A1 (0.72) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL856166 0.87 ALDH1A1 (0.72) TSHRALDH1A1GAAEPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1278530-A Novel peptide derivative ASTRA AB (SE) 2001-01-03 CN claimed
US-12637451-B2 Amino quinazoline derivatives as P2X3 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2026-05-26 US disclosed
EP-4658658-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2025-12-10 EP disclosed
WO-2024162828-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2024-08-08 WO disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
EP-4157849-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
US-20230092892-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2023-03-23 US disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
US-6225330-B1 Selective NPY (Y5) antagonists (tricyclics) SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 US disclosed
US-6222040-B1 FOR THERAPY OF EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-24 US disclosed
US-6218408-B1 FOR THERAPY OF EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
US-6214853-B1 DIETETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-10 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed
CN-1278530-A Novel peptide derivative ASTRA AB (SE) 2001-01-03 CN disclosed
WO-2000064880-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-11-02 WO disclosed
US-6124331-A TREATING ABNORMAL FEEDING DISORDERS (OBESITY AND BULIMIA NERVOSA), SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-09-26 US disclosed
US-5714485-A Piperidine and hexahydropyridazine thrombin inhibitors MERCK & CO., INC. (US) 1998-02-03 US disclosed
US-5510369-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-04-23 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 (4 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 TSHR 3971/4885ALDH1A1 4008/4885GAA 2658/4885
US-20230092892-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 TSHR 3428/4885ALDH1A1 1918/4885GAA 4494/4885
US-12637451-B2 Amino quinazoline derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX7 TSHR 1262/4885ALDH1A1 1206/4885GAA 4560/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 TSHR 3869/4885ALDH1A1 2752/4885GAA 2669/4885

“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.