SCHEMBL6794328

SCHEMBL6794328

CCc1nn(C2CCCCC2)c2cc([C@]3(C#N)CC[C@@H](O)CC3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
PDE4A P27815 12/20 0.34
PDE4B Q07343 12/20 0.34
PDE4C Q08493 12/20 0.34
PDE4D Q08499 12/20 0.34
TEAD1 P28347 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
LRRK2 Q5S007 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CMKLR1 Q99788 1/20 0.31

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
SCHEMBL6794334 1.00 ESR1 (0.36) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6791320 0.99 AXL (0.36) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6791328 0.99 AXL (0.36) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6802477 0.97 AXL (0.36) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6796868 0.97 AXL (0.36) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6796863 0.97 AXL (0.36) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6182562 0.90 LRRK2 (0.35) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6798314 0.90 LRRK2 (0.35) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6791379 0.90 AXL (0.37) ESR1AXLTYRO3MERTKPDE4A
SCHEMBL6791374 0.90 AXL (0.37) ESR1AXLTYRO3MERTKPDE4A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716978-B2 FOR THERAPY AND PROHYLAXIS OF INFLAMMATORY DISEASES INCLUDING JOINT INFLAMMATION, CROHN'S DISEASE, AND INFLAMMATORY BOWEL DISEASE; RESPIRATORY DISEASES SUCH AS CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) INCLUDING ASTHMA, CHRONIC BRONCHITIS PFIZER INC 2004-04-06 US claimed
US-20030176421-A1 PROKINETIC AGENTS FOR TREATING GASTRIC HYPOMOTILITY AND RELATED DISORDERS WATSON JOHN W (US) 2003-09-18 US claimed
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors MARFAT ANTHONY (US) 2003-08-21 US claimed
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS MARFAT ANTHONY (US) 2002-05-16 US claimed
US-6211222-B1 Substituted indazole derivatives and related compounds PFIZER INC 2001-04-03 US claimed
EP-1040829-A2 Prokinetic agents for treating gastric hypomotility and related disorders PFIZER INC. (US) 2000-10-04 EP claimed
US-6716978-B2 FOR THERAPY AND PROHYLAXIS OF INFLAMMATORY DISEASES INCLUDING JOINT INFLAMMATION, CROHN'S DISEASE, AND INFLAMMATORY BOWEL DISEASE; RESPIRATORY DISEASES SUCH AS CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) INCLUDING ASTHMA, CHRONIC BRONCHITIS PFIZER INC 2004-04-06 US disclosed
US-20030176421-A1 PROKINETIC AGENTS FOR TREATING GASTRIC HYPOMOTILITY AND RELATED DISORDERS WATSON JOHN W (US) 2003-09-18 US disclosed
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors MARFAT ANTHONY (US) 2003-08-21 US disclosed
US-6391872-B1 SENSITIVE TO ADRENERGIC ANTAGONIST PFIZER INC 2002-05-21 US disclosed
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS MARFAT ANTHONY (US) 2002-05-16 US disclosed
US-6211222-B1 Substituted indazole derivatives and related compounds PFIZER INC 2001-04-03 US disclosed
EP-1040829-A2 Prokinetic agents for treating gastric hypomotility and related disorders PFIZER INC. (US) 2000-10-04 EP disclosed
US-6127398-A Substituted indazole derivatives and related compounds PFIZER INC (US) 2000-10-03 US disclosed
EP-1028946-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 WO 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 (3 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-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PDE4B, PDE3B, PDE4A ESR1 1494/4885AXL 4238/4885TYRO3 3236/4885
US-20030176421-A1 PROKINETIC AGENTS FOR TREATING GASTRIC HYPOMOTILITY AND RELATED DISORDERS OPRM1, OPRK1, OPRD1 ESR1 4624/4885AXL 2927/4885TYRO3 4192/4885
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PDE3B, ALPI, PDE4B ESR1 1600/4885AXL 4423/4885TYRO3 3918/4885

“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.