SCHEMBL4601800

SCHEMBL4601800

COCC[CH]c1c[nH]c2cc(F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 4/20 0.50
▸ GPR84 Q9NQS5 1/20 0.47
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46
▸ TUBB6 Q9BUF5 1/20 0.46
▸ TUBB2B Q9BVA1 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL4602444 0.92 TDO2 (0.48) TDO2GPR84TUBB4ATUBBTUBA3C
SCHEMBL4602724 0.90 KMT2A (0.47) GPR84IDO1HTR2AALDH1A1HTR1A
SCHEMBL4602807 0.82 MEN1 (0.45) GPR84HTR2A
SCHEMBL4603999 0.80 CYP2A6 (0.50) KDM4EALDH1A1MAPT
SCHEMBL27788547 0.73 MPO (0.52) GPR84HTR2A
SCHEMBL187434 0.73 TDO2 (0.64) TDO2GPR84IDO1KDM4EALDH1A1
SCHEMBL29935646 0.73 TDO2 (0.64) TDO2GPR84IDO1KDM4EALDH1A1
SCHEMBL18036689 0.72 GPR84 (0.67) TDO2GPR84HTR2AHTR1A
SCHEMBL4604316 0.72 CYP2A6 (0.47) KDM4EALDH1A1MAPT
SCHEMBL27640766 0.70 MPO (0.56) GPR84HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 — — US claimed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 — — US disclosed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 — — EP disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 — — 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 (1 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 TDO2 1716/4885GPR84 2046/4885TUBB4A 3092/4885

“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.

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