SCHEMBL105302

SCHEMBL105302

CC(Cc1ccccc1N)C(N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
CYP2D6 P10635 1/20 0.40
TAAR1 Q96RJ0 4/20 0.38
SLC6A2 P23975 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13243865 0.77 CYP2D6 (0.67) DPP4CYP2D6TAAR1SLC6A2MAOA
SCHEMBL13243866 0.77 CYP2D6 (0.67) DPP4CYP2D6TAAR1SLC6A2MAOA
SCHEMBL13243863 0.77 CYP2D6 (0.67) DPP4CYP2D6TAAR1SLC6A2MAOA
SCHEMBL9054723 0.77 GRIN2D (0.47) DPP4TAAR1
SCHEMBL13243599 0.77 CYP2D6 (0.67) DPP4CYP2D6TAAR1SLC6A2MAOA
SCHEMBL1724429 0.77 SLC6A2 (0.52) TAAR1SLC6A2MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9582478 0.76 GRIN2D (0.46) DPP4
SCHEMBL9001661 0.75 ALDH1A1 (0.42) TAAR1SIGMAR1
SCHEMBL270111 0.74 GABRA1 (0.52) TAAR1SLC6A2MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9001659 0.74 ALDH1A1 (0.41) TAAR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US claimed
EP-4727917-A1 BIODEGRADABLE CARBAMATE LIPIDS WITH INCREASED STABILITY Ramot at Tel-Aviv University Ltd. (IL) 2026-04-22 EP disclosed
US-20260102386-A1 USE OF HEXOKINASE 2/MITOCHONDRIA-DETACHING COMPOUNDS FOR TREATING HEXOKINASE-2 (HK2)-EXPRESSING CANCERS VIDAC PHARMA LTD. (IL) 2026-04-16 US disclosed
EP-4096656-B1 NOVEL ACTIVATORS OF THE LIPIDATING TRANSPORTER ATP BINDING CASSETTE PROTEIN TYPE 1 (ABCA1) AND THERAPEUTIC USES THEREOF UNIV RAMOT (IL) 2026-01-28 EP disclosed
US-12527782-B2 Use of hexokinase 2/mitochondria-detaching compounds for treating hexokinase-2 (HK2)-expressing cancers VIDAC PHARMA LTD. (IL) 2026-01-20 US disclosed
US-20250387417-A1 CANNABINOID DERIVATIVES AND COMPOSITIONS COMPRISING SAME CANNASOUL ANALYTICS LTD (IL) 2025-12-25 US disclosed
EP-3750530-B1 COMBINATIONS OF IRS/STAT3 DUAL MODULATORS AND ANTI-CANCER AGENTS FOR TREATING CANCER TYRNOVO LTD (IL) 2025-12-24 EP disclosed
WO-2025228979-A1 LIPIDS NANOPARTICLE FORMULATIONS SUITABLE FOR LUNG TARGETING NEOVAC LTD. (GB) 2025-11-06 WO disclosed
US-20250236578-A1 NOVEL CANNABINOID DERIVATIVES CANNASOUL ANALYTICS LTD. (IL) 2025-07-24 US disclosed
US-20250162978-A1 CATIONIC LIPIDS FOR NUCLEIC ACID DELIVERY AND PREPARATION THEREOF UNIV RAMOT (IL) 2025-05-22 US disclosed
US-4072754-A ANTICHOLESTEROL MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-02-07 US disclosed
US-4069338-A INDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-01-17 US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 US disclosed
US-4051170-A Diphenoxyacetic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-4049823-A Phenylbutanol derivatives and compositions containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-20 US disclosed
US-4039536-A 7-(α-SUBSTITUTED GLYCINAMIDO)-3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACIDS AND THEIR DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-08-02 US disclosed
US-3992386-A 4(Quinolyl)phenoxy alkanoic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-11-16 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US disclosed
US-3932487-A HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-13 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 (5 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-20250236578-A1 NOVEL CANNABINOID DERIVATIVES CNR2, CNR1, FAAH DPP4 2591/4885CYP2D6 417/4885TAAR1 859/4885
US-20250162978-A1 CATIONIC LIPIDS FOR NUCLEIC ACID DELIVERY AND PREPARATION THEREOF NPC1L1, NPC1, CETP DPP4 2334/4885CYP2D6 4339/4885TAAR1 4025/4885
US-20250387417-A1 CANNABINOID DERIVATIVES AND COMPOSITIONS COMPRISING SAME CNR1, CNR2, OPRM1 DPP4 2224/4885CYP2D6 128/4885TAAR1 1344/4885
US-12527782-B2 Use of hexokinase 2/mitochondria-detaching compounds for treating hexokinase-2 (HK2)-expressing cancers HK2, HK1, AK2 DPP4 2495/4885CYP2D6 1047/4885TAAR1 4828/4885
US-20260102386-A1 USE OF HEXOKINASE 2/MITOCHONDRIA-DETACHING COMPOUNDS FOR TREATING HEXOKINASE-2 (HK2)-EXPRESSING CANCERS HK2, HK1, AK2 DPP4 2684/4885CYP2D6 699/4885TAAR1 4464/4885

“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.