SCHEMBL730970

SCHEMBL730970

COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)[nH]c2c1OCCCCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.51
SRC P12931 5/20 0.46
FYN P06241 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42

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
SCHEMBL730436 1.00 PDE4B (0.51) PDE4BSRCFYNCYP2D6TSHR
SCHEMBL729253 0.99 PDE4B (0.51) PDE4BSRCFYNCYP2D6TSHR
SCHEMBL730552 0.97 PDE4B (0.50) PDE4BSRCFYNCYP2D6TSHR
SCHEMBL722798 0.92 PDE4B (0.53) PDE4BSRCFYNABL1BCR
SCHEMBL729216 0.92 PDE4B (0.53) PDE4BSRCFYNABL1BCR
SCHEMBL730860 0.92 PDE4B (0.53) PDE4BSRCFYNABL1BCR
SCHEMBL730531 0.92 PDE4B (0.53) PDE4BSRCFYNABL1BCR
SCHEMBL12729827 0.92 TSHR (0.48) PDE4BSRCFYNCYP2D6TSHR
SCHEMBL730443 0.91 PDE4B (0.50) PDE4BSRC
SCHEMBL728837 0.91 PDE4B (0.50) PDE4BSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11903992-B2 Composition comprising lidocaine, l-carnosine and dexpanthenol CELLIX BIO PRIVATE LIMITED (IN) 2024-02-20 US claimed
WO-2022190030-A1 A TOPICAL FORMULATION FOR THE TREATMENT OF SKIN DISEASES AVACA PHARMA PRIVATE LIMITED (IN) 2022-09-15 WO claimed
WO-2022157587-A1 A COMPOSITION COMPRISING LIDOCAINE, L-CARNOSINE AND DEXPANTHENOL CELLIX BIO PRIVATE LIMITED (IN) 2022-07-28 WO claimed
US-20220233629-A1 COMPOSITION COMPRISING LIDOCAINE, L-CARNOSINE AND DEXPANTHENOL CELLIX BIO PRIVATE LIMITED (IN) 2022-07-28 US claimed
US-20220184052-A1 COMPOSITION COMPRISING FEXOFENADINE CELLIX BIO PRIVATE LIMITED (IN) 2022-06-16 US claimed
EP-2482798-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF Alcon Research, Ltd. (US) 2012-08-08 EP claimed
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP claimed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US claimed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO claimed
US-20110082145-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF ALCON RESEARCH, LTD. (US) 2011-04-07 US claimed
WO-2011041640-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF ALCON RESEARCH, LTD. (US) 2011-04-07 WO claimed
US-11903992-B2 Composition comprising lidocaine, l-carnosine and dexpanthenol CELLIX BIO PRIVATE LIMITED (IN) 2024-02-20 US disclosed
US-11833141-B2 Topical formulations and compositions AVACA PHARMA PRIVATE LIMITED (IN) 2023-12-05 US disclosed
WO-2023144614-A1 NASAL COMPOSITIONS AND METHODS THEREOF AVACA PHARMA PRIVATE LIMITED (IN) 2023-08-03 WO disclosed
US-20230020927-A1 TOPICAL FORMULATIONS AND COMPOSITIONS AVACA PHARMA PRIVATE LIMITED (IN) 2023-01-19 US disclosed
US-20110082145-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF ALCON RESEARCH, LTD. (US) 2011-04-07 US disclosed
WO-2011041640-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF ALCON RESEARCH, LTD. (US) 2011-04-07 WO disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 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 (4 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-20110082145-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF PDE4B, PDE4A, PDE4C PDE4B 1/4885SRC 4168/4885FYN 2092/4885
US-11903992-B2 Composition comprising lidocaine, l-carnosine and dexpanthenol VNN1, LPL, HMGB1 PDE4B 1894/4885SRC 4811/4885FYN 4152/4885
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885SRC 3951/4885FYN 2070/4885
US-20220233629-A1 COMPOSITION COMPRISING LIDOCAINE, L-CARNOSINE AND DEXPANTHENOL VNN1, LPL, HMGB1 PDE4B 1894/4885SRC 4811/4885FYN 4152/4885

“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.