SCHEMBL4027368

SCHEMBL4027368

COc1cc([N+](=O)[O-])ccc1OCCN1CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MCHR1 Q99705 2/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ LTA4H P09960 3/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ ADRA1A P35348 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
SCHEMBL5258701 0.93 MCHR1 (0.49) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL5381777 0.87 LTA4H (0.54) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL264564 0.87 LTA4H (0.57) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL5469381 0.86 HTR2C (0.52) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL6313154 0.86 ALDH1A1 (0.59) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL2086647 0.84 KMT2A (0.61) SMN1; SMN2MAPTNPC1CYP1A2CYP2D6
SCHEMBL3863267 0.83 KDM4E (0.53) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL1929880 0.82 LTA4H (0.57) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL3860586 0.82 ADRA1A (0.49) SMN1; SMN2MAPTHPGDNPC1CYP1A2
SCHEMBL4192478 0.81 LTA4H (0.56) SMN1; SMN2MAPTHPGDNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 — — EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 — — 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 (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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C SMN1; SMN2 3695/4885MAPT 4698/4885HPGD 1826/4885

“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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