SCHEMBL7072340

SCHEMBL7072340

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccc(F)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SLC6A3 Q01959 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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 SCHEMBL7074856 0.99 PTPN1 (0.46) PTPN1ALDH1A1KDM4EHPGDLMNA
SCHEMBL7230437 0.90 SLC9A1 (0.42) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL7233288 0.90 NPC1 (0.46) PTPN1ALDH1A1KDM4EHPGDLMNA
SCHEMBL7077992 0.89 MMP13 (0.46) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL7075008 0.89 MMP13 (0.46) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL7225223 0.89 NPC1 (0.45) PTPN1ALDH1A1KDM4EHPGDLMNA
SCHEMBL7232499 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL7226254 0.89 NPC1 (0.59) PTPN1ALDH1A1KDM4EHPGDLMNA
SCHEMBL375394 0.88 NPC1 (0.44) PTPN1ALDH1A1KDM4EHPGDLMNA
SCHEMBL7074460 0.88 NPC1 (0.44) PTPN1ALDH1A1KDM4EHPGDLMNA

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 PTPN1 3479/4885ALDH1A1 1238/4885KDM4E 112/4885

“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.