SCHEMBL2170401

SCHEMBL2170401

c1ccc2nc(CN3CCNCC3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
HTR1A P08908 2/20 0.55
HTR7 P34969 2/20 0.55
CYP1A2 P05177 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SLC6A4 P31645 2/20 0.55
HTR3E A5X5Y0 1/20 0.55
USP2 O75604 1/20 0.55
HTR3B O95264 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR2C P28335 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
HTR3A P46098 1/20 0.55
HTR6 P50406 1/20 0.55
PMP22 Q01453 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55

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
SCHEMBL29756443 1.00 CYP3A4 (0.55) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL3917010 0.98 CXCR4 (0.57) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL6583960 0.94 CXCR4 (0.65) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL1968824 0.92 HRH3 (0.55) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL1972333 0.90 FAAH (0.50) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL1331198 0.88 FAAH (0.65) HTR1AHTR7CXCR4FAAHDRD4
SCHEMBL17289123 0.88 FAAH (0.65) HTR1AHTR7CXCR4FAAHDRD4
SCHEMBL11785110 0.84 SLC6A4 (0.56) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL6584608 0.83 FAAH (0.60) CYP3A4HTR1AHTR7CYP1A2KDM4E
SCHEMBL27140396 0.83 FAAH (0.57) CYP3A4HTR1AHTR7CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3796900-B1 TRITERPENE AMINE DERIVATIVES DFH THERAPEUTICS (US) 2026-04-08 EP disclosed
CN-109111415-B Dendrobium alkaloid derivative, preparation method and medical application 安徽中医药大学 2022-08-23 CN disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
CN-109111415-A A kind of dendrobium nobile alcaloid-derivatives, preparation method and medical usage 安徽中医药大学 2019-01-01 CN disclosed
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 US disclosed
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0905133-A1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO. LTD. (JP) 1999-03-31 EP disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
EP-0834510-A2 Flavone derivative and medicine comprising the same KOWA CO. LTD. (JP) 1998-04-08 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed
US-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 US disclosed
US-4374990-A ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-22 US disclosed
US-4115569-A PARASITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-19 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 CYP3A4 521/4885HTR1A 792/4885HTR7 44/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 CYP3A4 521/4885HTR1A 792/4885HTR7 44/4885

“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.