SCHEMBL4072432

SCHEMBL4072432

[CH]1CCC(c2cccnc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.69
CHRNB2 P17787 7/20 0.53
CHRNA4 P43681 6/20 0.53
CHRNA7 P36544 7/20 0.49
CYP2A6 P11509 3/20 0.48
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CHRNA3 P32297 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA2 Q15822 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR3E A5X5Y0 1/20 0.45

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
SCHEMBL28048432 0.90 CYP11B2 (0.61) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL990213 0.87
SCHEMBL29848157 0.87
Ammonia Solution, Strong SCHEMBL28985148 0.85 CYP11B2 (0.77) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL6095783 0.83 CYP11B2 (0.96) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL30434052 0.83 CYP11B2 (0.88) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL26154135 0.83 CYP11B2 (0.88) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL28048384 0.82 CYP11B2 (0.66) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL23873927 0.82 CYP11B2 (1.00) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL14029295 0.82 CYP11B2 (1.00) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 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 (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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 CYP11B2 27/4885CHRNB2 279/4885CHRNA4 207/4885

“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.