SCHEMBL1616775

SCHEMBL1616775

O=C1CCCCC1c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TLR4 O00206 1/20 0.42
SRD5A1 P18405 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR3A P46098 1/20 0.39
LIG1 P18858 1/20 0.39
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL15874655 1.00 KDM4E (0.42) KDM4ESMN1; SMN2MAPTHPGDTLR4
SCHEMBL11840693 0.98 KMT2A (0.42) KDM4ESMN1; SMN2MAPTHPGDTLR4
SCHEMBL512106 0.94 SRD5A1 (0.41) KDM4ESMN1; SMN2MAPTHPGDSRD5A1
SCHEMBL11837854 0.93 CA1 (0.41) KDM4ESMN1; SMN2MAPTHPGDTLR4
SCHEMBL15282087 0.86 SRD5A1 (0.43) KDM4ESMN1; SMN2SRD5A1HTR3ALIG1
SCHEMBL6434415 0.81 ESR2 (0.48) TLR4CA1CA2CA4
SCHEMBL19993834 0.81 LMNA (0.42) MAPTTLR4KMT2AMEN1NPSR1
SCHEMBL513149 0.81 LMNA (0.42) TLR4KMT2AMEN1LIG1CA1
SCHEMBL8381617 0.81 DDB1 (0.50) TLR4KMT2ACA1CA2CA4
SCHEMBL28649636 0.81 TLR4 (0.42) MAPTTLR4KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254095-A1 NMDA Receptor Antagonist and Use Thereof SYNPHATEC (SHANGHAI) BIOPHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-08-01 US disclosed
EP-4339189-A1 NMDA RECEPTOR ANTAGONIST AND USE THEREOF Synphatec (Shanghai) Biopharmaceutical Technology Co., Ltd. (CN) 2024-03-20 EP disclosed
CN-113234036-B NMDA receptor antagonists and uses thereof 斯莱普泰(上海)生物医药科技有限公司 2023-07-14 CN disclosed
WO-2022237849-A1 NMDA RECEPTOR ANTAGONIST AND USE THEREOF 中国科学院上海有机化学研究所 2022-11-17 WO disclosed
CN-113234036-A NMDA receptor antagonists and uses thereof 中国科学院上海有机化学研究所 2021-08-10 CN disclosed
CN-106496005-A Synthesis method of 4- (4-chlorphenyl) cyclohexanone 上海毕得医药科技有限公司 2017-03-15 CN disclosed
CN-106496005-A Synthesis method of 4- (4-chlorphenyl) cyclohexanone 上海毕得医药科技有限公司 2017-03-15 CN disclosed
CN-106496008-A Method for synthesizing 4- (4-chlorphenyl) cyclohexanone 上海毕得医药科技有限公司 2017-03-15 CN disclosed
CN-106496008-A Method for synthesizing 4- (4-chlorphenyl) cyclohexanone 上海毕得医药科技有限公司 2017-03-15 CN disclosed
WO-2014109712-A1 PALLADIUM-CATALYZED ASYMMETRIC (HETERO)ARYLATION AND VINYLATION OF KETONE ENOLATES TO PRODUCE TERTIARY STEREOCENTERS AT ALPHA(α)-POSITION NANAYNG TECHNOLOGICAL UNIVERSITY (SG) 2014-07-17 WO disclosed
EP-1656354-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-02-17 US disclosed
WO-2005014557-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS CFR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
US-4684396-A Triazole and imidazole compounds useful as plant growth regulators and fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-04 US disclosed
EP-0153797-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-09-04 EP disclosed
EP-0073849-A1 Novel phenyl-1,2,3,4-tetrahydrocarbazoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-03-16 EP disclosed
US-4292323-A Phenyl-1,2,3,4-tetrahydrocarbazoles and use thereof SCHERING CORPORATION (US) 1981-09-29 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 (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-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease GRIN1, GRIN2A, GRM1 KDM4E 3291/4885SMN1; SMN2 1887/4885MAPT 136/4885
US-20240254095-A1 NMDA Receptor Antagonist and Use Thereof GRIN2B, GRIN1, GRIN3A KDM4E 2445/4885SMN1; SMN2 1445/4885MAPT 156/4885
US-20050038052-A1 Tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists CRHR1, AVPR2, CRHR2 KDM4E 3115/4885SMN1; SMN2 2846/4885MAPT 3071/4885

“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.