SCHEMBL7075352

SCHEMBL7075352

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2cccc(F)c2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MGAM O43451 3/20 0.46
GAA P10253 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
SLC9A1 P19634 1/20 0.45
PDE4B Q07343 5/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
C3AR1 Q16581 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
Hydrochloric Acid SCHEMBL7072319 0.99 NR4A1 (0.49) NR4A1NR4A2NR4A3MGAMGAA
SCHEMBL7230437 0.90 SLC9A1 (0.42) NR4A1NR4A2NR4A3GAASLC9A1
SCHEMBL7224791 0.88 NPC1 (0.44) GAANPC1RAB9AALDH1A1MAPT
SCHEMBL7232719 0.88 NPC1 (0.43) GAANPC1RAB9AALDH1A1MAPT
SCHEMBL7225482 0.88 ALDH1A1 (0.54) MGAMGAASIMGAM2SLC9A1
SCHEMBL7234393 0.88 SLC9A1 (0.45) GAASLC9A1NPC1RAB9AALDH1A1
SCHEMBL7233423 0.88 KDM4E (0.47) GAANPC1RAB9AALDH1A1MAPT
SCHEMBL7072340 0.87 PTPN1 (0.46) MGAMGAASIMGAM2SLC9A1
SCHEMBL7233500 0.87 CYP1A2 (0.54) GAASLC9A1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7074460 0.87 NPC1 (0.44) MGAMGAASIMGAM2NPC1

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-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE SULT1E1, UGT1A7, UGT1A1 NR4A1 177/4885NR4A2 471/4885NR4A3 584/4885

“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.