SCHEMBL6607889

SCHEMBL6607889

Clc1c2c(nc3ccccc13)CCNC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ACHE P22303 6/20 0.46
BCHE P06276 5/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
ABCC4 O15439 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46

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
SCHEMBL11832846 0.91 BCHE (0.51) MAPTMAOAMAOBACHEBCHE
Hydrochloric Acid SCHEMBL11833417 0.90 MAPT (0.53) MAPTMAOAMAOBACHEBCHE
Hydrochloric Acid SCHEMBL11833405 0.88 MAPT (0.53) MAPTMAOAMAOBACHEBCHE
SCHEMBL6610838 0.84 ACHE (0.62) MAPTMAOAACHEBCHEALDH1A1
Hydrochloric Acid SCHEMBL6606586 0.83 ACHE (0.63) MAPTMAOAACHEBCHEALDH1A1
SCHEMBL7976500 0.81 ALDH1A1 (0.54) MAPTACHEBCHEALDH1A1TSHR
Hydrochloric Acid SCHEMBL7976524 0.80 ALDH1A1 (0.56) MAPTACHEBCHEALDH1A1TSHR
SCHEMBL6608441 0.80 MAPT (0.70) MAPTACHEBCHEALDH1A1TSHR
SCHEMBL17792389 0.80 MAPT (0.52) MAPTACHEBCHEAPPGRIN1
SCHEMBL16210526 0.80 PDE5A (0.53) MAPTACHEBCHECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-26 US disclosed
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-05-06 US disclosed
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-05-06 US disclosed
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-01-26 US disclosed
EP-3022205-B1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2020-02-05 EP disclosed
EP-3022205-B1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2020-02-05 EP disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
EP-3022205-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2016-05-25 EP disclosed
WO-2015009930-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-01-22 WO disclosed
WO-2015009930-A2 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-01-22 WO disclosed
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-10 US disclosed
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-10 US disclosed
WO-2011116867-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2011-09-29 WO disclosed
EP-0997462-B1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF NIPPON KAYAKU KK (JP) 2004-12-22 EP disclosed
US-6433174-B1 Process for producing novel naphthyridine derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-08-13 US disclosed
EP-1142892-A1 PROCESSES FOR THE PREPARATION OF NOVEL NAPHTHYRIDINE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2001-10-10 EP disclosed
US-6294547-B1 Naphthyridine deratives or salts thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP 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-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A MAPT 1752/4885MAOA 112/4885MAOB 256/4885
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A MAPT 1911/4885MAOA 120/4885MAOB 253/4885
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A MAPT 1911/4885MAOA 120/4885MAOB 253/4885
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A MAPT 1752/4885MAOA 112/4885MAOB 256/4885
US-20130012505-A1 BENZONAPHTHYRIDINAMINES AS AUTOTAXIN INHIBITORS ENPP2, LYPLAL1, LYPLA1 MAPT 3567/4885MAOA 72/4885MAOB 126/4885

“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.