SCHEMBL5015600

SCHEMBL5015600

O=C1OCc2cc(C3=NCCO3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 16/20 0.55
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
ACHE P22303 1/20 0.45
RECQL P46063 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL28039015 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8855985 0.75 KCNH2 (0.38)
SCHEMBL13469961 0.74 PRF1 (0.65) PRF1MAPTLMNAGAAACHE
SCHEMBL5017018 0.74 PRF1 (0.56) PRF1MAPTLMNAGAAACHE
SCHEMBL105809 0.73 NPC1 (0.41)
SCHEMBL6484620 0.72 PRF1 (0.51) PRF1MAPTLMNAGAAACHE
SCHEMBL9919011 0.72 P2RX7 (0.36) PRF1
SCHEMBL132013 0.72 KCNH2 (0.49)
SCHEMBL16573996 0.71 PRF1 (0.61) PRF1MAPTLMNAGAAACHE
SCHEMBL19966686 0.71 PRF1 (0.61) PRF1MAPTLMNAGAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911548-B2 Method for the preparation of 5-cyanophthalide H. LUNDBECK A/S (DK) 2005-06-28 US claimed
EP-1254129-B1 METHOD FOR THE PREPARATION OF 5-CYANOPHTHALIDE LUNDBECK & CO AS H (DK) 2003-10-22 EP claimed
US-20030013895-A1 METHOD FOR THE PREPARATION OF 5-CYANOPHTHALIDE H. LUNDBECK A/S (DK) 2003-01-16 US claimed
EP-1123284-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2003-01-08 EP claimed
US-6365747-B1 BY THERMALLY CLEAVING THE THIAZOLINE RING, OR TREATMENT IN PRESENCE OF A RADICAL INITIATOR; ONE-POT PROCESS; BY-PRODUCT INHIBITION; ANTIDEPRESSANT; PREFERENTIAL, CENTRALLY ACTING SEROTONIN (5-HYDROXYTRYPTAMINE; 5-HT) REUPTAKE INHIBITOR; H. LUNDBECK A/S (DK) 2002-04-02 US claimed
EP-1700851-B1 CRYSTALLINE CITALOPRAM DIOL INTERMEDIATE ALKALI HANGZHOU MINSHENG PHARM CO LTD (CN) 2012-09-12 EP disclosed
US-7435838-B2 Crystalline citalopram diol intermediate alkali HANGZHOU MINSHENG PHARMACEUTICAL CO. LTD. (CN) 2008-10-14 US disclosed
US-20070117992-A1 Crystalline citalopram diol intermediate alkali ZHEJIANG HONGGUAN BIO-PHARMA CO., LTD. (CN) 2007-05-24 US disclosed
EP-1700851-A1 CRYSTALLINE CITALOPRAM DIOL INTERMEDIATE ALKALI Hangzhou Minsheng Pharm. Co., Ltd. (CN) 2006-09-13 EP disclosed
US-6911548-B2 Method for the preparation of 5-cyanophthalide H. LUNDBECK A/S (DK) 2005-06-28 US disclosed
EP-1254129-B1 METHOD FOR THE PREPARATION OF 5-CYANOPHTHALIDE LUNDBECK & CO AS H (DK) 2003-10-22 EP disclosed
US-20030013895-A1 METHOD FOR THE PREPARATION OF 5-CYANOPHTHALIDE H. LUNDBECK A/S (DK) 2003-01-16 US disclosed
EP-1123284-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2003-01-08 EP disclosed
US-6365747-B1 BY THERMALLY CLEAVING THE THIAZOLINE RING, OR TREATMENT IN PRESENCE OF A RADICAL INITIATOR; ONE-POT PROCESS; BY-PRODUCT INHIBITION; ANTIDEPRESSANT; PREFERENTIAL, CENTRALLY ACTING SEROTONIN (5-HYDROXYTRYPTAMINE; 5-HT) REUPTAKE INHIBITOR; H. LUNDBECK A/S (DK) 2002-04-02 US disclosed
EP-1123284-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. Lundbeck A/S (DK) 2001-08-16 EP disclosed
WO-2000023431-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-04-27 WO 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-20070117992-A1 Crystalline citalopram diol intermediate alkali HTR5A, HTR4, HTR3D PRF1 4870/4885MAPT 290/4885LMNA 912/4885
US-20030013895-A1 METHOD FOR THE PREPARATION OF 5-CYANOPHTHALIDE CBR1, CBR3, CYC1 PRF1 4325/4885MAPT 3619/4885LMNA 900/4885

“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.