SCHEMBL738712

SCHEMBL738712

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccc(N(C)C)nc4)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.43
KCNH2 Q12809 8/20 0.43
CYP2D6 P10635 7/20 0.43
PROKR1 Q8TCW9 3/20 0.41
CHRM1 P11229 3/20 0.39
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL739476 0.92 HRH1 (0.43) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL742873 0.90 HRH1 (0.41) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL742872 0.90 HRH1 (0.41) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL762597 0.89 KCNH2 (0.45) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL742749 0.88 HRH1 (0.43) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL741907 0.88 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1
SCHEMBL742216 0.88 KCNH2 (0.44) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL742217 0.88 KCNH2 (0.44) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL740379 0.88 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1
SCHEMBL739313 0.88 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146917-A1 DRUG PAD GH RESEARCH IRELAND LTD (IE) 2024-07-11 WO claimed
US-20240197681-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US claimed
EP-4313030-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS Terran Biosciences, Inc. (US) 2024-02-07 EP claimed
WO-2024006984-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. (US) 2024-01-04 WO claimed
WO-2024146917-A1 DRUG PAD GH RESEARCH IRELAND LTD (IE) 2024-07-11 WO disclosed
CN-118234491-A Hallucinogen-fatty acid combinations 明德赛特制药公司 2024-06-21 CN disclosed
US-20240197681-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
EP-4313030-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS Terran Biosciences, Inc. (US) 2024-02-07 EP disclosed
US-20240000795-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. 2024-01-04 US disclosed
WO-2024006984-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. (US) 2024-01-04 WO disclosed
WO-2023129976-A1 SALT AND SOLID FORMS OF KETANSERIN TERRAN BIOSCIENCES, INC. (US) 2023-07-06 WO disclosed
CN-111798937-B Method for establishing metabonomics database of wolfberry tissue and application thereof 宁夏农林科学院枸杞工程技术研究所 2021-10-01 CN disclosed
CN-111798937-A Method for establishing metabonomics database of wolfberry tissue and application thereof 宁夏农林科学院枸杞工程技术研究所 2020-10-20 CN disclosed
CN-111398476-A Method for detecting 5-MeO-DIPT in urine 司法鉴定科学研究院 2020-07-10 CN disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 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-20240000795-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS HTR2A, HTR1A, HTR2C HRH1 504/4885KCNH2 1920/4885CYP2D6 1808/4885
US-20240197681-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR3A HRH1 575/4885KCNH2 2330/4885CYP2D6 1202/4885

“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.