Sugi Predict

Sugi Predict / Compounds / SCHEMBL6412974

SCHEMBL6412974

SCHEMBL6412974

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccn2cc(Cl)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SUV39H2 Q9H5I1 6/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ TAS1R2 Q8TE23 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ SLC6A3 Q01959 2/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7033391 0.88 NPC1 (0.36) NPC1RAB9ASUV39H2CHRNA7CHRM4
SCHEMBL6410363 0.88 NPC1 (0.36) NPC1RAB9ASUV39H2CHRNA7CHRM4
SCHEMBL6415309 0.88 HDAC1 (0.42) NPC1RAB9ASUV39H2TAS1R3TAS1R1
SCHEMBL6413940 0.85 HPGDS (0.42) NPC1RAB9ACHRNA7KDM4EALDH1A1
SCHEMBL6411631 0.85 KDM1A (0.37) NPC1RAB9ASUV39H2TAS1R3TAS1R1
SCHEMBL6417962 0.85 SLC6A2 (0.35) NPC1RAB9ASUV39H2CHRNA7CHRM4
SCHEMBL6411797 0.83 PIK3C3 (0.41) CHRNA7TAS1R3TAS1R1TAS1R2
SCHEMBL7035692 0.83 PIK3C3 (0.41) CHRNA7TAS1R3TAS1R1TAS1R2
SCHEMBL6417451 0.81 NPC1 (0.38) NPC1RAB9ASUV39H2CHRNA7TAS1R3
SCHEMBL6413960 0.81 NPC1 (0.36) NPC1RAB9ASUV39H2CHRNA7TAS1R3

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
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 — — US claimed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 — — US claimed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 — — US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 — — US disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 — — 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 (2 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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY NPC1 142/4885RAB9A 2031/4885SUV39H2 2612/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 NPC1 221/4885RAB9A 871/4885SUV39H2 2497/4885

“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.