SCHEMBL2402912

SCHEMBL2402912

Cn1cnc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.41
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
PDE2A O00408 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
GRM5 P41594 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 2/20 0.31
MAPK10 P53779 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL13415333 0.98 DRD4 (0.40) DRD4PDE3BPDE3APDE2APDE1A
SCHEMBL22604338 0.98 DRD4 (0.40) DRD4PDE3BPDE3APDE2APDE1A
SCHEMBL13326541 0.95
SCHEMBL12082578 0.78 GRM5 (0.41) DRD4GRM5
SCHEMBL3516499 0.77 HTR2C (0.39) DRD4GRM5KDM4E
SCHEMBL23161482 0.72 PDE3B (0.33) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL8316966 0.72 MAOA (0.36) DRD4GRM5CYP1A2
SCHEMBL18348345 0.72 PDE3B (0.33) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL15723732 0.72 PDE3B (0.33) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL14722498 0.71 ALDH1A1 (0.43) GAACYP1A2POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433166-B1 None US claimed
EP-1167350-B1 Process for producing epsilon-caprolactam SUMITOMO CHEMICAL CO (JP) 2010-04-14 EP claimed
EP-1016658-B1 Process for producing E-caprolactam SUMITOMO CHEMICAL CO (JP) 2005-12-14 EP claimed
US-6433166-B2 Process for producing ε-caprolactam SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-13 US claimed
US-20020010329-A1 Process for producing epsilon-caprolactam SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-24 US claimed
EP-1167350-A1 Process for producing epsilon-caprolactam SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP claimed
US-6252068-B1 CRYSTALLIZATION; HYDROGENATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-26 US claimed
EP-1016658-A2 Process for producing E-caprolactam SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-07-05 EP claimed
US-6433166-B1 None US disclosed
EP-4602024-A1 PROCESS FOR PRODUCING HEXAMETHYLENEDIAMINE FROM CAPROLACTAM Ascend Performance Materials Operations LLC (US) 2025-08-20 EP disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-7351827-B2 Substituted oxetanes, method of making, and method of use thereof THE UNIVERSITY OF CONNECTICUT (US) 2008-04-01 US disclosed
EP-1016658-B1 Process for producing E-caprolactam SUMITOMO CHEMICAL CO (JP) 2005-12-14 EP disclosed
US-6433166-B2 Process for producing ε-caprolactam SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-13 US disclosed
US-20020010329-A1 Process for producing epsilon-caprolactam SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-24 US disclosed
EP-1167350-A1 Process for producing epsilon-caprolactam SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed
EP-1016658-A2 Process for producing E-caprolactam SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-07-05 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 (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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS DRD4 966/4885PDE3B 2706/4885PDE3A 2518/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD DRD4 1617/4885PDE3B 2979/4885PDE3A 2529/4885

“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.